smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247343 633812176 /nfs/dbraw/zinc/81/21/76/633812176.db2.gz AKQDKDSNLYWVOL-UHFFFAOYSA-N 2 0 236.341 -1.712 20 0 BAADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000035663341 182184092 /nfs/dbraw/zinc/18/40/92/182184092.db2.gz PLBCTJPPBRNKOY-UWVGGRQHSA-N 2 0 227.308 -1.079 20 0 BAADRP O=C(NCC[NH+]1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000035663342 182185675 /nfs/dbraw/zinc/18/56/75/182185675.db2.gz PLBCTJPPBRNKOY-VHSXEESVSA-N 2 0 227.308 -1.079 20 0 BAADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000035663343 182185758 /nfs/dbraw/zinc/18/57/58/182185758.db2.gz PLBCTJPPBRNKOY-ZJUUUORDSA-N 2 0 227.308 -1.079 20 0 BAADRP O=C(NCC[NH+]1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000035663344 182185095 /nfs/dbraw/zinc/18/50/95/182185095.db2.gz PLBCTJPPBRNKOY-NXEZZACHSA-N 2 0 227.308 -1.079 20 0 BAADRP CN(CC(=O)N(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000037270977 344498516 /nfs/dbraw/zinc/49/85/16/344498516.db2.gz IISOTDZHPTYCDF-UHFFFAOYSA-N 2 0 242.323 -1.562 20 0 BAADRP CCN1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000037481826 344508971 /nfs/dbraw/zinc/50/89/71/344508971.db2.gz PISCKJOJGURGJY-UHFFFAOYSA-N 2 0 228.296 -1.775 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NCC[NH+]1CCCC1 ZINC000037482098 181352246 /nfs/dbraw/zinc/35/22/46/181352246.db2.gz PDSNYXOEVWAAIZ-UHFFFAOYSA-N 2 0 228.296 -1.727 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000037482535 398328289 /nfs/dbraw/zinc/32/82/89/398328289.db2.gz OELYACPPZVLXQL-UHFFFAOYSA-N 2 0 212.297 -1.677 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000037482536 398328317 /nfs/dbraw/zinc/32/83/17/398328317.db2.gz QCYQIBUPTXUATE-UHFFFAOYSA-N 2 0 226.324 -1.287 20 0 BAADRP C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)C[NH3+] ZINC000037622848 387566004 /nfs/dbraw/zinc/56/60/04/387566004.db2.gz BSZNJGMCSHWDNX-UHFFFAOYSA-N 2 0 244.339 -1.235 20 0 BAADRP CC[NH+](CC)CCCNC(=O)CNC(=O)C[NH3+] ZINC000037623140 344550127 /nfs/dbraw/zinc/55/01/27/344550127.db2.gz LUHHYGGQBBTZFL-UHFFFAOYSA-N 2 0 244.339 -1.091 20 0 BAADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000037623204 344550495 /nfs/dbraw/zinc/55/04/95/344550495.db2.gz VAFPTQNDRKKMMQ-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000037623205 344550111 /nfs/dbraw/zinc/55/01/11/344550111.db2.gz VAFPTQNDRKKMMQ-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NCCC[NH+]1CCCC1 ZINC000037626129 181351925 /nfs/dbraw/zinc/35/19/25/181351925.db2.gz CRVYUBOQQMTHJV-UHFFFAOYSA-N 2 0 242.323 -1.337 20 0 BAADRP CC(C)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000037626429 712693842 /nfs/dbraw/zinc/69/38/42/712693842.db2.gz PDTOEQWPCURCSJ-UHFFFAOYSA-N 2 0 242.323 -1.386 20 0 BAADRP C[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000037647108 173145179 /nfs/dbraw/zinc/14/51/79/173145179.db2.gz GBBUMHZZXVFHJJ-LLVKDONJSA-N 2 0 240.351 -1.041 20 0 BAADRP C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000037647109 173114423 /nfs/dbraw/zinc/11/44/23/173114423.db2.gz GBBUMHZZXVFHJJ-NSHDSACASA-N 2 0 240.351 -1.041 20 0 BAADRP C[NH+]1CCN(CCNC(=O)C[NH3+])CC1 ZINC000037760026 173082553 /nfs/dbraw/zinc/08/25/53/173082553.db2.gz UYGLSRZJJYGVOX-UHFFFAOYSA-N 2 0 200.286 -1.691 20 0 BAADRP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)[NH+](C)C ZINC000038089276 398335968 /nfs/dbraw/zinc/33/59/68/398335968.db2.gz ZCJVDULNVIQYSO-JTQLQIEISA-N 2 0 228.340 -1.042 20 0 BAADRP C[C@H](CNC(=O)CN1CC[NH2+]CC1)[NH+](C)C ZINC000038089277 398335951 /nfs/dbraw/zinc/33/59/51/398335951.db2.gz ZCJVDULNVIQYSO-SNVBAGLBSA-N 2 0 228.340 -1.042 20 0 BAADRP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+](C)C ZINC000038089313 343059231 /nfs/dbraw/zinc/05/92/31/343059231.db2.gz MRMUCDJFSWUUFR-VGMNWLOBSA-N 2 0 215.297 -1.225 20 0 BAADRP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+](C)C ZINC000038089314 323383372 /nfs/dbraw/zinc/38/33/72/323383372.db2.gz MRMUCDJFSWUUFR-XHNCKOQMSA-N 2 0 215.297 -1.225 20 0 BAADRP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+](C)C ZINC000038089315 343059103 /nfs/dbraw/zinc/05/91/03/343059103.db2.gz MRMUCDJFSWUUFR-HRDYMLBCSA-N 2 0 215.297 -1.225 20 0 BAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000040631897 410883441 /nfs/dbraw/zinc/88/34/41/410883441.db2.gz GLAYVQMRPUXSST-DTWKUNHWSA-N 2 0 213.281 -1.205 20 0 BAADRP C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000040673641 173045270 /nfs/dbraw/zinc/04/52/70/173045270.db2.gz HFMHSMMYFWBWMK-QMMMGPOBSA-N 2 0 228.296 -1.728 20 0 BAADRP C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000040673642 173020944 /nfs/dbraw/zinc/02/09/44/173020944.db2.gz HFMHSMMYFWBWMK-MRVPVSSYSA-N 2 0 228.296 -1.728 20 0 BAADRP C[NH+](C)C(C)(C)CNC(=O)CNC(=O)C[NH3+] ZINC000040807280 172394749 /nfs/dbraw/zinc/39/47/49/172394749.db2.gz RZKVRDSKDJRJAM-UHFFFAOYSA-N 2 0 230.312 -1.482 20 0 BAADRP [NH3+]CCCNC(=O)CN1CC[NH2+]CC1 ZINC000040832412 181380807 /nfs/dbraw/zinc/38/08/07/181380807.db2.gz KGLLBVAZHKZGHX-UHFFFAOYSA-N 2 0 200.286 -1.643 20 0 BAADRP [NH3+]CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000040861384 636945705 /nfs/dbraw/zinc/94/57/05/636945705.db2.gz VCJODLSDASZNOX-UHFFFAOYSA-N 2 0 222.314 -1.925 20 0 BAADRP [NH3+]CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000041043500 181396442 /nfs/dbraw/zinc/39/64/42/181396442.db2.gz WLTULBBCZRIINT-UHFFFAOYSA-N 2 0 208.287 -2.315 20 0 BAADRP C[NH+](C)CCN1C[C@H](C(=O)NCC[NH3+])CC1=O ZINC000041286943 386665870 /nfs/dbraw/zinc/66/58/70/386665870.db2.gz RVYFHMOFVCYUGC-SECBINFHSA-N 2 0 242.323 -1.529 20 0 BAADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC[NH3+])CC1=O ZINC000041286946 386666949 /nfs/dbraw/zinc/66/69/49/386666949.db2.gz RVYFHMOFVCYUGC-VIFPVBQESA-N 2 0 242.323 -1.529 20 0 BAADRP CC[NH+](CC)C[C@@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000041680123 358512743 /nfs/dbraw/zinc/51/27/43/358512743.db2.gz UPMSHBZCZNEAPE-SECBINFHSA-N 2 0 244.339 -1.092 20 0 BAADRP CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)C[NH3+] ZINC000041680124 358513434 /nfs/dbraw/zinc/51/34/34/358513434.db2.gz UPMSHBZCZNEAPE-VIFPVBQESA-N 2 0 244.339 -1.092 20 0 BAADRP CCCN(CC[NH+](C)C)C(=O)CNC(=O)C[NH3+] ZINC000041680281 358334052 /nfs/dbraw/zinc/33/40/52/358334052.db2.gz MZCWNFWYEZJSCO-UHFFFAOYSA-N 2 0 244.339 -1.139 20 0 BAADRP C[NH+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707398 385182789 /nfs/dbraw/zinc/18/27/89/385182789.db2.gz SRRSTPJUMVGLDQ-QMMMGPOBSA-N 2 0 201.270 -1.347 20 0 BAADRP C[NH+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043707399 385185146 /nfs/dbraw/zinc/18/51/46/385185146.db2.gz SRRSTPJUMVGLDQ-MRVPVSSYSA-N 2 0 201.270 -1.347 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[NH2+]CC1 ZINC000043708081 411125571 /nfs/dbraw/zinc/12/55/71/411125571.db2.gz SESKZCOQWNMORH-VIFPVBQESA-N 2 0 213.281 -1.203 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[NH2+]CC1 ZINC000043708082 411125501 /nfs/dbraw/zinc/12/55/01/411125501.db2.gz SESKZCOQWNMORH-SECBINFHSA-N 2 0 213.281 -1.203 20 0 BAADRP C[C@@H](CC[NH+](C)C)NC(=O)CNC(=O)C[NH3+] ZINC000049559635 358694923 /nfs/dbraw/zinc/69/49/23/358694923.db2.gz HEOSJAVGEMVKSH-QMMMGPOBSA-N 2 0 230.312 -1.482 20 0 BAADRP C[C@H](CC[NH+](C)C)NC(=O)CNC(=O)C[NH3+] ZINC000049559636 358695250 /nfs/dbraw/zinc/69/52/50/358695250.db2.gz HEOSJAVGEMVKSH-MRVPVSSYSA-N 2 0 230.312 -1.482 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000049575478 181351481 /nfs/dbraw/zinc/35/14/81/181351481.db2.gz XVDQETPHSCLKIJ-UHFFFAOYSA-N 2 0 242.323 -1.337 20 0 BAADRP CNC(=O)NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000050247307 173286861 /nfs/dbraw/zinc/28/68/61/173286861.db2.gz VSDBBBZBCKMDHH-SSDOTTSWSA-N 2 0 214.269 -1.277 20 0 BAADRP CNC(=O)NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000050247309 173287335 /nfs/dbraw/zinc/28/73/35/173287335.db2.gz VSDBBBZBCKMDHH-ZETCQYMHSA-N 2 0 214.269 -1.277 20 0 BAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050459438 173083945 /nfs/dbraw/zinc/08/39/45/173083945.db2.gz JVZGZNFGCZUKLF-ZJUUUORDSA-N 2 0 226.324 -1.303 20 0 BAADRP O=C(CCN1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000053299076 385637263 /nfs/dbraw/zinc/63/72/63/385637263.db2.gz QZMCCBSDHMKRLQ-UHFFFAOYSA-N 2 0 226.324 -1.287 20 0 BAADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000054133289 397903740 /nfs/dbraw/zinc/90/37/40/397903740.db2.gz QMYJLGQEJOCAHQ-IUCAKERBSA-N 2 0 215.297 -1.223 20 0 BAADRP CC[N@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000054133291 397903674 /nfs/dbraw/zinc/90/36/74/397903674.db2.gz QMYJLGQEJOCAHQ-DTWKUNHWSA-N 2 0 215.297 -1.223 20 0 BAADRP CC(C)[N@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000054133592 358854266 /nfs/dbraw/zinc/85/42/66/358854266.db2.gz CMWCETAIYAPTOB-UHFFFAOYSA-N 2 0 230.312 -1.482 20 0 BAADRP C[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1CC1 ZINC000059931480 386463794 /nfs/dbraw/zinc/46/37/94/386463794.db2.gz ZSQNISQTNLNFFM-UHFFFAOYSA-N 2 0 228.296 -1.728 20 0 BAADRP C[NH+](CCOCC[NH3+])CCOCC[NH3+] ZINC000060256264 411434288 /nfs/dbraw/zinc/43/42/88/411434288.db2.gz MWACIQXSGAWGGN-UHFFFAOYSA-N 3 0 205.302 -1.131 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000061380493 174277610 /nfs/dbraw/zinc/27/76/10/174277610.db2.gz AUJZHKVVWWIKNM-JTQLQIEISA-N 2 0 245.323 -1.331 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000061380495 174277456 /nfs/dbraw/zinc/27/74/56/174277456.db2.gz AUJZHKVVWWIKNM-SNVBAGLBSA-N 2 0 245.323 -1.331 20 0 BAADRP C[NH2+]CC(=O)NCC[N@H+](C)CCOC ZINC000061380611 173328738 /nfs/dbraw/zinc/32/87/38/173328738.db2.gz UXMVYFWSAQNVEP-UHFFFAOYSA-N 2 0 203.286 -1.100 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000061380617 174277366 /nfs/dbraw/zinc/27/73/66/174277366.db2.gz BQMNPLSNIHZOIM-UWVGGRQHSA-N 2 0 245.323 -1.596 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000061380630 174277261 /nfs/dbraw/zinc/27/72/61/174277261.db2.gz BQMNPLSNIHZOIM-VHSXEESVSA-N 2 0 245.323 -1.596 20 0 BAADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000061645137 385742756 /nfs/dbraw/zinc/74/27/56/385742756.db2.gz OMWISIGBMLJYIX-VIFPVBQESA-N 2 0 242.323 -1.386 20 0 BAADRP C[NH+](C)C[C@H]1CCCN1C(=O)CNC(=O)C[NH3+] ZINC000061645138 385742634 /nfs/dbraw/zinc/74/26/34/385742634.db2.gz OMWISIGBMLJYIX-SECBINFHSA-N 2 0 242.323 -1.386 20 0 BAADRP C[N@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000062010180 172741625 /nfs/dbraw/zinc/74/16/25/172741625.db2.gz FNDAYTPBZRNBJE-UWVGGRQHSA-N 2 0 227.308 -1.080 20 0 BAADRP C[N@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000062010181 386490661 /nfs/dbraw/zinc/49/06/61/386490661.db2.gz FNDAYTPBZRNBJE-VHSXEESVSA-N 2 0 227.308 -1.080 20 0 BAADRP CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179805 349500709 /nfs/dbraw/zinc/50/07/09/349500709.db2.gz YDXLUKREDWLWBK-VIFPVBQESA-N 2 0 242.323 -1.481 20 0 BAADRP CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179806 349500854 /nfs/dbraw/zinc/50/08/54/349500854.db2.gz YDXLUKREDWLWBK-SECBINFHSA-N 2 0 242.323 -1.481 20 0 BAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCO)C1 ZINC000063179918 641146266 /nfs/dbraw/zinc/14/62/66/641146266.db2.gz IXNUZUNBLLICJT-VIFPVBQESA-N 2 0 215.297 -1.234 20 0 BAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCO)C1 ZINC000063179919 641144961 /nfs/dbraw/zinc/14/49/61/641144961.db2.gz IXNUZUNBLLICJT-SECBINFHSA-N 2 0 215.297 -1.234 20 0 BAADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180380 349500973 /nfs/dbraw/zinc/50/09/73/349500973.db2.gz XRTPKQYRHNVSBN-IUCAKERBSA-N 2 0 242.323 -1.353 20 0 BAADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180382 349500415 /nfs/dbraw/zinc/50/04/15/349500415.db2.gz XRTPKQYRHNVSBN-BDAKNGLRSA-N 2 0 242.323 -1.353 20 0 BAADRP COC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000068892346 642807215 /nfs/dbraw/zinc/80/72/15/642807215.db2.gz VMMRNPRGBRKQER-NSHDSACASA-N 2 0 231.340 -1.169 20 0 BAADRP COC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000068892347 642806358 /nfs/dbraw/zinc/80/63/58/642806358.db2.gz VMMRNPRGBRKQER-LLVKDONJSA-N 2 0 231.340 -1.169 20 0 BAADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000069803140 343292036 /nfs/dbraw/zinc/29/20/36/343292036.db2.gz CPELDEGOCQXDJU-QMMMGPOBSA-N 2 0 201.270 -1.347 20 0 BAADRP C[NH2+]CCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000069803141 173351769 /nfs/dbraw/zinc/35/17/69/173351769.db2.gz CPELDEGOCQXDJU-MRVPVSSYSA-N 2 0 201.270 -1.347 20 0 BAADRP C[NH2+]CCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000069803248 642918096 /nfs/dbraw/zinc/91/80/96/642918096.db2.gz VMERGSZRKQFTLS-UHFFFAOYSA-N 2 0 214.313 -1.431 20 0 BAADRP C[NH2+]CCN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000069803356 642918013 /nfs/dbraw/zinc/91/80/13/642918013.db2.gz DHQSKJARCNFUPJ-UHFFFAOYSA-N 2 0 236.341 -1.712 20 0 BAADRP CNC(=O)NC(=O)CN1CC[C@H](C[NH2+]C)C1 ZINC000070799724 173380533 /nfs/dbraw/zinc/38/05/33/173380533.db2.gz VGHCPGDRWUNTLZ-MRVPVSSYSA-N 2 0 228.296 -1.017 20 0 BAADRP CC(=O)NCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800504 350059515 /nfs/dbraw/zinc/05/95/15/350059515.db2.gz AWRZDXRZGBQPIN-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP CNC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800581 350060837 /nfs/dbraw/zinc/06/08/37/350060837.db2.gz PXBYXQRBRADVGO-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP CN(CCN1CC[NH2+]CC1)CC(=O)NC(N)=O ZINC000071150647 343623800 /nfs/dbraw/zinc/62/38/00/343623800.db2.gz DSJPSMWIUNJBAV-UHFFFAOYSA-N 2 0 243.311 -1.982 20 0 BAADRP [NH3+]C1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC000082652575 181343656 /nfs/dbraw/zinc/34/36/56/181343656.db2.gz UELWWMBMKFIESL-UHFFFAOYSA-N 2 0 226.324 -1.159 20 0 BAADRP [NH3+][C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082652590 388125890 /nfs/dbraw/zinc/12/58/90/388125890.db2.gz HXYJOFCEFUGMAU-SNVBAGLBSA-N 2 0 226.324 -1.159 20 0 BAADRP [NH3+][C@H]1CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082652591 388125428 /nfs/dbraw/zinc/12/54/28/388125428.db2.gz HXYJOFCEFUGMAU-JTQLQIEISA-N 2 0 226.324 -1.159 20 0 BAADRP C[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000082652734 388125349 /nfs/dbraw/zinc/12/53/49/388125349.db2.gz JCVGRPSGMHIWII-QMMMGPOBSA-N 2 0 228.296 -1.776 20 0 BAADRP C[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000082652735 388125651 /nfs/dbraw/zinc/12/56/51/388125651.db2.gz JCVGRPSGMHIWII-MRVPVSSYSA-N 2 0 228.296 -1.776 20 0 BAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000082654450 182122187 /nfs/dbraw/zinc/12/21/87/182122187.db2.gz OTAKOYSKLOYOEM-SECBINFHSA-N 2 0 240.307 -1.714 20 0 BAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(C)(C)[NH3+] ZINC000082654820 388125899 /nfs/dbraw/zinc/12/58/99/388125899.db2.gz RQCPDTBUHANLQN-UHFFFAOYSA-N 2 0 242.323 -1.386 20 0 BAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000082657422 182121617 /nfs/dbraw/zinc/12/16/17/182121617.db2.gz OTAKOYSKLOYOEM-VIFPVBQESA-N 2 0 240.307 -1.714 20 0 BAADRP [NH3+]CCCC(=O)NCCN1CC[NH2+]CC1 ZINC000083347954 181372563 /nfs/dbraw/zinc/37/25/63/181372563.db2.gz ZHQCTAPTNBAGEX-UHFFFAOYSA-N 2 0 214.313 -1.253 20 0 BAADRP CC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083347955 385827314 /nfs/dbraw/zinc/82/73/14/385827314.db2.gz PHUHXRGBUUIESA-VIFPVBQESA-N 2 0 214.313 -1.255 20 0 BAADRP CC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083347956 385827338 /nfs/dbraw/zinc/82/73/38/385827338.db2.gz PHUHXRGBUUIESA-SECBINFHSA-N 2 0 214.313 -1.255 20 0 BAADRP CC(C)([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083347957 188296911 /nfs/dbraw/zinc/29/69/11/188296911.db2.gz WTIYAGCEEMOUHU-UHFFFAOYSA-N 2 0 214.313 -1.255 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083356304 398278264 /nfs/dbraw/zinc/27/82/64/398278264.db2.gz AABOOQNIBQGMOJ-JTQLQIEISA-N 2 0 228.340 -1.009 20 0 BAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]CC1 ZINC000083814919 711810173 /nfs/dbraw/zinc/81/01/73/711810173.db2.gz QSSJWVUCFOPJPH-NSHDSACASA-N 2 0 231.340 -1.169 20 0 BAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]CC1 ZINC000083814920 711809997 /nfs/dbraw/zinc/80/99/97/711809997.db2.gz QSSJWVUCFOPJPH-LLVKDONJSA-N 2 0 231.340 -1.169 20 0 BAADRP C[NH+]1CCN(Cc2cn(CC[NH3+])nn2)CC1 ZINC000084378859 488048380 /nfs/dbraw/zinc/04/83/80/488048380.db2.gz HDLLUMCVAVGIHH-UHFFFAOYSA-N 2 0 224.312 -1.016 20 0 BAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CC1 ZINC000085619275 357123709 /nfs/dbraw/zinc/12/37/09/357123709.db2.gz WALHWXUITAXSOV-SECBINFHSA-N 2 0 213.281 -1.203 20 0 BAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]CC1 ZINC000085619277 357123282 /nfs/dbraw/zinc/12/32/82/357123282.db2.gz WALHWXUITAXSOV-VIFPVBQESA-N 2 0 213.281 -1.203 20 0 BAADRP [NH3+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790385 643624465 /nfs/dbraw/zinc/62/44/65/643624465.db2.gz KIEIIYGNJWIQPQ-RKDXNWHRSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790387 643624660 /nfs/dbraw/zinc/62/46/60/643624660.db2.gz KIEIIYGNJWIQPQ-DTWKUNHWSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790389 644450656 /nfs/dbraw/zinc/45/06/56/644450656.db2.gz KIEIIYGNJWIQPQ-BDAKNGLRSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790391 644451963 /nfs/dbraw/zinc/45/19/63/644451963.db2.gz KIEIIYGNJWIQPQ-IUCAKERBSA-N 2 0 213.281 -1.076 20 0 BAADRP COCC[NH2+]CC(=O)NCC[NH+](C)C ZINC000086157897 643934374 /nfs/dbraw/zinc/93/43/74/643934374.db2.gz ZRVLCGLFQZHOQG-UHFFFAOYSA-N 2 0 203.286 -1.100 20 0 BAADRP COCC[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000086157962 398087402 /nfs/dbraw/zinc/08/74/02/398087402.db2.gz KVQYOWNZOUFSRQ-UHFFFAOYSA-N 2 0 201.270 -1.346 20 0 BAADRP C[NH2+]CCN(C)C(=O)C[NH2+]CCOC ZINC000086158332 358427128 /nfs/dbraw/zinc/42/71/28/358427128.db2.gz JAWIGXCEXPPUAU-UHFFFAOYSA-N 2 0 203.286 -1.100 20 0 BAADRP COCC[N@H+](C)CCNC(=O)COCC[NH3+] ZINC000086434962 487878209 /nfs/dbraw/zinc/87/82/09/487878209.db2.gz GZDWPYAPFXODQD-UHFFFAOYSA-N 2 0 233.312 -1.344 20 0 BAADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH2+]CC2)O1 ZINC000087046069 368888023 /nfs/dbraw/zinc/88/80/23/368888023.db2.gz UPNLSPOKAXCPNZ-BDAKNGLRSA-N 2 0 213.281 -1.076 20 0 BAADRP C[NH2+]CCCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000087471754 487659776 /nfs/dbraw/zinc/65/97/76/487659776.db2.gz HRBHUBGFOSBQOX-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000087508711 343651634 /nfs/dbraw/zinc/65/16/34/343651634.db2.gz WBISNIROKVIIPD-SECBINFHSA-N 2 0 213.281 -1.203 20 0 BAADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000087508715 366735560 /nfs/dbraw/zinc/73/55/60/366735560.db2.gz WBISNIROKVIIPD-VIFPVBQESA-N 2 0 213.281 -1.203 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000088004179 136283459 /nfs/dbraw/zinc/28/34/59/136283459.db2.gz CYSCZODGCNQMTP-SECBINFHSA-N 2 0 233.312 -1.346 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000088004180 136283240 /nfs/dbraw/zinc/28/32/40/136283240.db2.gz CYSCZODGCNQMTP-VIFPVBQESA-N 2 0 233.312 -1.346 20 0 BAADRP CC1(OCC(=O)NCCC[NH3+])C[NH2+]C1 ZINC000098060188 487718104 /nfs/dbraw/zinc/71/81/04/487718104.db2.gz YHMHFNWDHZLPJK-UHFFFAOYSA-N 2 0 201.270 -1.170 20 0 BAADRP CNC(=O)NC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107580283 173286532 /nfs/dbraw/zinc/28/65/32/173286532.db2.gz RAVVMOQRJWQKLH-DTORHVGOSA-N 2 0 240.307 -1.017 20 0 BAADRP CNC(=O)NC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107580286 345611789 /nfs/dbraw/zinc/61/17/89/345611789.db2.gz RAVVMOQRJWQKLH-RKDXNWHRSA-N 2 0 240.307 -1.017 20 0 BAADRP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107580288 345612196 /nfs/dbraw/zinc/61/21/96/345612196.db2.gz RAVVMOQRJWQKLH-IUCAKERBSA-N 2 0 240.307 -1.017 20 0 BAADRP C[NH+](C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000123739498 385908127 /nfs/dbraw/zinc/90/81/27/385908127.db2.gz PAGMXXONQNLSFK-SNVBAGLBSA-N 2 0 217.313 -1.023 20 0 BAADRP C[NH+](C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000123739739 385909002 /nfs/dbraw/zinc/90/90/02/385909002.db2.gz PAGMXXONQNLSFK-JTQLQIEISA-N 2 0 217.313 -1.023 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CN(CCC(=O)NC(N)=O)CCO1 ZINC000123754304 371104898 /nfs/dbraw/zinc/10/48/98/371104898.db2.gz MOSZOLMJPQSCSR-HTQZYQBOSA-N 2 0 244.295 -1.381 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000124449087 176326140 /nfs/dbraw/zinc/32/61/40/176326140.db2.gz IAAWGTIDCJXTGY-BDAKNGLRSA-N 2 0 213.281 -1.205 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000124449244 176326852 /nfs/dbraw/zinc/32/68/52/176326852.db2.gz IAAWGTIDCJXTGY-RKDXNWHRSA-N 2 0 213.281 -1.205 20 0 BAADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000125553516 177283856 /nfs/dbraw/zinc/28/38/56/177283856.db2.gz IAAWGTIDCJXTGY-DTWKUNHWSA-N 2 0 213.281 -1.205 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+](C)C ZINC000126051569 187231767 /nfs/dbraw/zinc/23/17/67/187231767.db2.gz CCIZGIFNDLEBPQ-JTQLQIEISA-N 2 0 244.339 -1.236 20 0 BAADRP C[NH2+]CCN(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126358796 343169438 /nfs/dbraw/zinc/16/94/38/343169438.db2.gz GZWQMXBMLGSFGD-JTQLQIEISA-N 2 0 244.339 -1.236 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH3+] ZINC000126409697 388694763 /nfs/dbraw/zinc/69/47/63/388694763.db2.gz QQBKIEUIYCCDQL-VIFPVBQESA-N 2 0 230.312 -1.449 20 0 BAADRP CC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000129090997 384164888 /nfs/dbraw/zinc/16/48/88/384164888.db2.gz UBTBBGQCJSXBNS-DTWKUNHWSA-N 2 0 214.313 -1.175 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000131666383 344321914 /nfs/dbraw/zinc/32/19/14/344321914.db2.gz ZSCDHONYHHMRDX-JTQLQIEISA-N 2 0 226.324 -1.240 20 0 BAADRP C[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000132017299 371741850 /nfs/dbraw/zinc/74/18/50/371741850.db2.gz ULHFJPGXEIBOTO-YUMQZZPRSA-N 2 0 200.286 -1.565 20 0 BAADRP C[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000132017509 371741641 /nfs/dbraw/zinc/74/16/41/371741641.db2.gz ULHFJPGXEIBOTO-JGVFFNPUSA-N 2 0 200.286 -1.565 20 0 BAADRP C[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000132017707 325195449 /nfs/dbraw/zinc/19/54/49/325195449.db2.gz ULHFJPGXEIBOTO-SFYZADRCSA-N 2 0 200.286 -1.565 20 0 BAADRP C[N@H+](CCC[NH3+])CCC(=O)NC(N)=O ZINC000133197252 372004672 /nfs/dbraw/zinc/00/46/72/372004672.db2.gz BNTAKFNMQUFCPE-UHFFFAOYSA-N 2 0 202.258 -1.148 20 0 BAADRP C[N@H+](CCC[NH3+])CCN1C(=O)CNC1=O ZINC000133222683 411657233 /nfs/dbraw/zinc/65/72/33/411657233.db2.gz VTIOGGJVCPNJGA-UHFFFAOYSA-N 2 0 214.269 -1.181 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000143313001 712344919 /nfs/dbraw/zinc/34/49/19/712344919.db2.gz IUQARNPTUJBPMJ-SECBINFHSA-N 2 0 212.297 -1.678 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000143313211 712345141 /nfs/dbraw/zinc/34/51/41/712345141.db2.gz IUQARNPTUJBPMJ-VIFPVBQESA-N 2 0 212.297 -1.678 20 0 BAADRP O=S(=O)(NC1C[NH2+]C1)N1CC[NH2+]CC1 ZINC000144533083 711473538 /nfs/dbraw/zinc/47/35/38/711473538.db2.gz WPVOTXYYMOPXGH-UHFFFAOYSA-N 2 0 220.298 -2.302 20 0 BAADRP C[NH+](C)CC(=O)NCCCNC(=O)C[NH+](C)C ZINC000146324471 345714180 /nfs/dbraw/zinc/71/41/80/345714180.db2.gz MVUZOIYDHHRPKZ-UHFFFAOYSA-N 2 0 244.339 -1.268 20 0 BAADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000154747011 360849217 /nfs/dbraw/zinc/84/92/17/360849217.db2.gz ZZVWRRJXGHREIW-IUCAKERBSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000154747075 360849312 /nfs/dbraw/zinc/84/93/12/360849312.db2.gz ZZVWRRJXGHREIW-BDAKNGLRSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000154747195 360849321 /nfs/dbraw/zinc/84/93/21/360849321.db2.gz ZZVWRRJXGHREIW-DTWKUNHWSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000154747256 360849210 /nfs/dbraw/zinc/84/92/10/360849210.db2.gz ZZVWRRJXGHREIW-RKDXNWHRSA-N 2 0 215.297 -1.054 20 0 BAADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000158459259 361195896 /nfs/dbraw/zinc/19/58/96/361195896.db2.gz CGBVUQBJOGOVFZ-IUCAKERBSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000158459386 361195826 /nfs/dbraw/zinc/19/58/26/361195826.db2.gz CGBVUQBJOGOVFZ-BDAKNGLRSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000158459545 361195934 /nfs/dbraw/zinc/19/59/34/361195934.db2.gz CGBVUQBJOGOVFZ-DTWKUNHWSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000158459678 345335035 /nfs/dbraw/zinc/33/50/35/345335035.db2.gz CGBVUQBJOGOVFZ-RKDXNWHRSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+][C@@H]1CCCN(C(=O)CN2CCNCC2=O)C1 ZINC000158606573 344333336 /nfs/dbraw/zinc/33/33/36/344333336.db2.gz WXTHLDUDLBKGAS-SECBINFHSA-N 2 0 240.307 -1.632 20 0 BAADRP CCN1CCO[C@H](C(=O)NCC[NH3+])C1 ZINC000158696122 361208176 /nfs/dbraw/zinc/20/81/76/361208176.db2.gz JJUGBFVAXQTRFO-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP CCN1CCO[C@@H](C(=O)NCC[NH3+])C1 ZINC000158696260 361207969 /nfs/dbraw/zinc/20/79/69/361207969.db2.gz JJUGBFVAXQTRFO-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP C[NH+](C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000159508666 343202354 /nfs/dbraw/zinc/20/23/54/343202354.db2.gz KQVZACTYGGSFOU-MRVPVSSYSA-N 2 0 201.270 -1.266 20 0 BAADRP C[NH+](C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000159508786 343202236 /nfs/dbraw/zinc/20/22/36/343202236.db2.gz KQVZACTYGGSFOU-QMMMGPOBSA-N 2 0 201.270 -1.266 20 0 BAADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCCC1 ZINC000161031755 346473216 /nfs/dbraw/zinc/47/32/16/346473216.db2.gz HQLRZJFDGZHTQT-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCCC1 ZINC000161031885 323143771 /nfs/dbraw/zinc/14/37/71/323143771.db2.gz HQLRZJFDGZHTQT-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP CC1(OCC(=O)N2CC[NH2+]CC2)C[NH2+]C1 ZINC000165821556 488044285 /nfs/dbraw/zinc/04/42/85/488044285.db2.gz ALMDKLBIDHTFCQ-UHFFFAOYSA-N 2 0 213.281 -1.203 20 0 BAADRP C[NH+](C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000167893733 136215476 /nfs/dbraw/zinc/21/54/76/136215476.db2.gz DJCNDJVIZBPTAR-UHFFFAOYSA-N 2 0 214.313 -1.431 20 0 BAADRP C[NH+](C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000167894074 364820480 /nfs/dbraw/zinc/82/04/80/364820480.db2.gz PDWAIPQXAXGGIL-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C(=O)C[NH+](C)C ZINC000167929486 487476186 /nfs/dbraw/zinc/47/61/86/487476186.db2.gz ZFGNLPKEGDZKOF-UHFFFAOYSA-N 2 0 228.340 -1.088 20 0 BAADRP CN1CCN(C(=O)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000167994411 364831198 /nfs/dbraw/zinc/83/11/98/364831198.db2.gz AYRDTBQGRFCTNQ-SECBINFHSA-N 2 0 214.313 -1.351 20 0 BAADRP CN1CCN(C(=O)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000167994519 364830785 /nfs/dbraw/zinc/83/07/85/364830785.db2.gz AYRDTBQGRFCTNQ-VIFPVBQESA-N 2 0 214.313 -1.351 20 0 BAADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000178779620 134311291 /nfs/dbraw/zinc/31/12/91/134311291.db2.gz VUTAWSLRXRHYPU-BDAKNGLRSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000178779633 134311408 /nfs/dbraw/zinc/31/14/08/134311408.db2.gz VUTAWSLRXRHYPU-IUCAKERBSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000178779646 134311203 /nfs/dbraw/zinc/31/12/03/134311203.db2.gz VUTAWSLRXRHYPU-RKDXNWHRSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000178779657 134311451 /nfs/dbraw/zinc/31/14/51/134311451.db2.gz VUTAWSLRXRHYPU-DTWKUNHWSA-N 2 0 213.281 -1.157 20 0 BAADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000179113099 134317602 /nfs/dbraw/zinc/31/76/02/134317602.db2.gz DXCSNPCYXJKCBY-BDAKNGLRSA-N 2 0 213.281 -1.205 20 0 BAADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000179113109 134317401 /nfs/dbraw/zinc/31/74/01/134317401.db2.gz DXCSNPCYXJKCBY-IUCAKERBSA-N 2 0 213.281 -1.205 20 0 BAADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000179113120 134317550 /nfs/dbraw/zinc/31/75/50/134317550.db2.gz DXCSNPCYXJKCBY-RKDXNWHRSA-N 2 0 213.281 -1.205 20 0 BAADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000179113128 134317435 /nfs/dbraw/zinc/31/74/35/134317435.db2.gz DXCSNPCYXJKCBY-DTWKUNHWSA-N 2 0 213.281 -1.205 20 0 BAADRP CC[N@H+](CCO)CCNC(=O)C[NH+](C)C ZINC000184060922 259377386 /nfs/dbraw/zinc/37/73/86/259377386.db2.gz XFYASZUYXVHNBD-UHFFFAOYSA-N 2 0 217.313 -1.022 20 0 BAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000187169834 182329662 /nfs/dbraw/zinc/32/96/62/182329662.db2.gz WBTFXCNGEGRNQN-DTWKUNHWSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000187169853 182293680 /nfs/dbraw/zinc/29/36/80/182293680.db2.gz WBTFXCNGEGRNQN-RKDXNWHRSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[NH2+]CCO1 ZINC000187175204 387173187 /nfs/dbraw/zinc/17/31/87/387173187.db2.gz JFYQRNJWDHQIEJ-SECBINFHSA-N 2 0 213.281 -1.157 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000187178942 176258462 /nfs/dbraw/zinc/25/84/62/176258462.db2.gz UCGRQBAIXNONKT-RKDXNWHRSA-N 2 0 213.281 -1.205 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000187178963 177224976 /nfs/dbraw/zinc/22/49/76/177224976.db2.gz UCGRQBAIXNONKT-DTWKUNHWSA-N 2 0 213.281 -1.205 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187179005 386487916 /nfs/dbraw/zinc/48/79/16/386487916.db2.gz LWVIBRLWEKPXOG-JGVFFNPUSA-N 2 0 201.270 -1.220 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187179028 386486994 /nfs/dbraw/zinc/48/69/94/386486994.db2.gz LWVIBRLWEKPXOG-HTQZYQBOSA-N 2 0 201.270 -1.220 20 0 BAADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000187181831 386493897 /nfs/dbraw/zinc/49/38/97/386493897.db2.gz UWQSPGGMWQIPDQ-RKDXNWHRSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000187181852 386493518 /nfs/dbraw/zinc/49/35/18/386493518.db2.gz UWQSPGGMWQIPDQ-DTWKUNHWSA-N 2 0 213.281 -1.076 20 0 BAADRP CCCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000187551848 346585785 /nfs/dbraw/zinc/58/57/85/346585785.db2.gz SGTOZUMUHGRWCA-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP CCCN(C(=O)CNC(=O)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000187551869 346585583 /nfs/dbraw/zinc/58/55/83/346585583.db2.gz SGTOZUMUHGRWCA-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000188483514 353173361 /nfs/dbraw/zinc/17/33/61/353173361.db2.gz UCGRQBAIXNONKT-BDAKNGLRSA-N 2 0 213.281 -1.205 20 0 BAADRP C[NH2+]CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000193130582 356711515 /nfs/dbraw/zinc/71/15/15/356711515.db2.gz ZOQRXQVDXBULLY-SECBINFHSA-N 2 0 215.297 -1.005 20 0 BAADRP C[NH2+]CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000193130593 173326255 /nfs/dbraw/zinc/32/62/55/173326255.db2.gz ZOQRXQVDXBULLY-VIFPVBQESA-N 2 0 215.297 -1.005 20 0 BAADRP O=S(=O)(N1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000197110738 643668480 /nfs/dbraw/zinc/66/84/80/643668480.db2.gz UCWQYBDQBAEEKK-UHFFFAOYSA-N 2 0 248.352 -1.568 20 0 BAADRP COCC[NH2+]CCNC(=O)C[NH+](C)C ZINC000216337564 323101023 /nfs/dbraw/zinc/10/10/23/323101023.db2.gz AQMYAHHWDRHVIE-UHFFFAOYSA-N 2 0 203.286 -1.100 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000216370523 355977914 /nfs/dbraw/zinc/97/79/14/355977914.db2.gz BQMNPLSNIHZOIM-ZJUUUORDSA-N 2 0 245.323 -1.596 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000216370582 355978319 /nfs/dbraw/zinc/97/83/19/355978319.db2.gz BQMNPLSNIHZOIM-NXEZZACHSA-N 2 0 245.323 -1.596 20 0 BAADRP C[N@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000217774368 134250133 /nfs/dbraw/zinc/25/01/33/134250133.db2.gz FNDAYTPBZRNBJE-ZJUUUORDSA-N 2 0 227.308 -1.080 20 0 BAADRP C[N@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000217774433 134249767 /nfs/dbraw/zinc/24/97/67/134249767.db2.gz FNDAYTPBZRNBJE-NXEZZACHSA-N 2 0 227.308 -1.080 20 0 BAADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC[NH3+] ZINC000218097785 535298044 /nfs/dbraw/zinc/29/80/44/535298044.db2.gz ZJPOQIXNMDPXNC-UHFFFAOYSA-N 2 0 244.339 -1.091 20 0 BAADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176016 358076865 /nfs/dbraw/zinc/07/68/65/358076865.db2.gz XRTPKQYRHNVSBN-DTWKUNHWSA-N 2 0 242.323 -1.353 20 0 BAADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221176070 358077105 /nfs/dbraw/zinc/07/71/05/358077105.db2.gz XRTPKQYRHNVSBN-RKDXNWHRSA-N 2 0 242.323 -1.353 20 0 BAADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000221319488 384208794 /nfs/dbraw/zinc/20/87/94/384208794.db2.gz MDXBCQZGQJEDIS-SECBINFHSA-N 2 0 244.339 -1.092 20 0 BAADRP CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000221319547 171306977 /nfs/dbraw/zinc/30/69/77/171306977.db2.gz MDXBCQZGQJEDIS-VIFPVBQESA-N 2 0 244.339 -1.092 20 0 BAADRP CC[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1CC1 ZINC000221319894 384208899 /nfs/dbraw/zinc/20/88/99/384208899.db2.gz SNKCPVGOWIGNII-UHFFFAOYSA-N 2 0 242.323 -1.338 20 0 BAADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@H+](C)C1CC1 ZINC000221320137 384247014 /nfs/dbraw/zinc/24/70/14/384247014.db2.gz LYDIVLABVXHBLW-QMMMGPOBSA-N 2 0 242.323 -1.340 20 0 BAADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@H+](C)C1CC1 ZINC000221320202 384246694 /nfs/dbraw/zinc/24/66/94/384246694.db2.gz LYDIVLABVXHBLW-MRVPVSSYSA-N 2 0 242.323 -1.340 20 0 BAADRP CCC[N@H+](CC)CCNC(=O)CNC(=O)C[NH3+] ZINC000221321961 169120086 /nfs/dbraw/zinc/12/00/86/169120086.db2.gz UMFGGJLYYMXFBI-UHFFFAOYSA-N 2 0 244.339 -1.091 20 0 BAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000224047182 173029894 /nfs/dbraw/zinc/02/98/94/173029894.db2.gz BXLIQXJHJNCRGJ-MRVPVSSYSA-N 2 0 228.296 -1.728 20 0 BAADRP C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000224047240 173053743 /nfs/dbraw/zinc/05/37/43/173053743.db2.gz BXLIQXJHJNCRGJ-QMMMGPOBSA-N 2 0 228.296 -1.728 20 0 BAADRP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+](C)C ZINC000226272412 388714022 /nfs/dbraw/zinc/71/40/22/388714022.db2.gz MRMUCDJFSWUUFR-HLTSFMKQSA-N 2 0 215.297 -1.225 20 0 BAADRP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+](C)C ZINC000226272418 387326364 /nfs/dbraw/zinc/32/63/64/387326364.db2.gz MRMUCDJFSWUUFR-DJLDLDEBSA-N 2 0 215.297 -1.225 20 0 BAADRP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+](C)C ZINC000226272425 388714151 /nfs/dbraw/zinc/71/41/51/388714151.db2.gz MRMUCDJFSWUUFR-IWSPIJDZSA-N 2 0 215.297 -1.225 20 0 BAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226394466 173030091 /nfs/dbraw/zinc/03/00/91/173030091.db2.gz NDSLDGSAEAUNID-BBBLOLIVSA-N 2 0 227.308 -1.080 20 0 BAADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227181966 388742824 /nfs/dbraw/zinc/74/28/24/388742824.db2.gz QMYJLGQEJOCAHQ-BDAKNGLRSA-N 2 0 215.297 -1.223 20 0 BAADRP CC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000227181972 388743101 /nfs/dbraw/zinc/74/31/01/388743101.db2.gz QMYJLGQEJOCAHQ-RKDXNWHRSA-N 2 0 215.297 -1.223 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000227418900 358356615 /nfs/dbraw/zinc/35/66/15/358356615.db2.gz XFDLCSXJEYITFI-VIFPVBQESA-N 2 0 233.312 -1.346 20 0 BAADRP CO[C@H](C[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000227418908 350494591 /nfs/dbraw/zinc/49/45/91/350494591.db2.gz XFDLCSXJEYITFI-SECBINFHSA-N 2 0 233.312 -1.346 20 0 BAADRP C[NH+](C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000227785242 358363869 /nfs/dbraw/zinc/36/38/69/358363869.db2.gz MXHCAADIZFZIKX-QMMMGPOBSA-N 2 0 201.270 -1.347 20 0 BAADRP C[NH+](C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000227785247 358363394 /nfs/dbraw/zinc/36/33/94/358363394.db2.gz MXHCAADIZFZIKX-MRVPVSSYSA-N 2 0 201.270 -1.347 20 0 BAADRP CCN(CCC[NH+](C)C)C(=O)CNC(=O)C[NH3+] ZINC000230711348 358410435 /nfs/dbraw/zinc/41/04/35/358410435.db2.gz XZBLYIHSVXWTQV-UHFFFAOYSA-N 2 0 244.339 -1.139 20 0 BAADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000232112159 342786176 /nfs/dbraw/zinc/78/61/76/342786176.db2.gz LUNIXZCBDGNDDX-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000232112161 342786161 /nfs/dbraw/zinc/78/61/61/342786161.db2.gz LUNIXZCBDGNDDX-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP CN(C)C(=O)CN(C)CCOCC[NH3+] ZINC000234217923 363417034 /nfs/dbraw/zinc/41/70/34/363417034.db2.gz QLBWVZICUPOOMV-UHFFFAOYSA-N 2 0 203.286 -1.018 20 0 BAADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000234225610 487777124 /nfs/dbraw/zinc/77/71/24/487777124.db2.gz IWSQJTOSJXLUFN-JTQLQIEISA-N 2 0 245.323 -1.331 20 0 BAADRP C[NH+](C)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000234235819 487779539 /nfs/dbraw/zinc/77/95/39/487779539.db2.gz FFFMOTMZXNODCU-MRVPVSSYSA-N 2 0 201.270 -1.347 20 0 BAADRP C[NH+](C)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000234236091 487779627 /nfs/dbraw/zinc/77/96/27/487779627.db2.gz FFFMOTMZXNODCU-QMMMGPOBSA-N 2 0 201.270 -1.347 20 0 BAADRP C[NH+](C)CCOCCNC(=O)COCC[NH3+] ZINC000234261624 487788135 /nfs/dbraw/zinc/78/81/35/487788135.db2.gz PMJVHSKESBDGLS-UHFFFAOYSA-N 2 0 233.312 -1.344 20 0 BAADRP C[NH2+]CC(=O)NCCOCC[NH+](C)C ZINC000234373533 342921862 /nfs/dbraw/zinc/92/18/62/342921862.db2.gz KEBZOSDMOQXAHA-UHFFFAOYSA-N 2 0 203.286 -1.100 20 0 BAADRP CC(C)(C[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000236607693 343103560 /nfs/dbraw/zinc/10/35/60/343103560.db2.gz RTCLRWGZHRNYIU-UHFFFAOYSA-N 2 0 228.340 -1.007 20 0 BAADRP CC[NH2+]CCNC(=O)C[NH2+]CCOC ZINC000236908684 343115084 /nfs/dbraw/zinc/11/50/84/343115084.db2.gz YTHUMJCJAMPCCT-UHFFFAOYSA-N 2 0 203.286 -1.052 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237440512 388395173 /nfs/dbraw/zinc/39/51/73/388395173.db2.gz LWVIBRLWEKPXOG-YUMQZZPRSA-N 2 0 201.270 -1.220 20 0 BAADRP C[C@@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000237611043 487492812 /nfs/dbraw/zinc/49/28/12/487492812.db2.gz VOGANCFSRUWZHY-JTQLQIEISA-N 2 0 228.340 -1.042 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237619318 388396827 /nfs/dbraw/zinc/39/68/27/388396827.db2.gz LWVIBRLWEKPXOG-SFYZADRCSA-N 2 0 201.270 -1.220 20 0 BAADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000237622726 398112742 /nfs/dbraw/zinc/11/27/42/398112742.db2.gz UCGRQBAIXNONKT-IUCAKERBSA-N 2 0 213.281 -1.205 20 0 BAADRP [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237955630 388399059 /nfs/dbraw/zinc/39/90/59/388399059.db2.gz UWQSPGGMWQIPDQ-IUCAKERBSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000238041457 388400607 /nfs/dbraw/zinc/40/06/07/388400607.db2.gz UWQSPGGMWQIPDQ-BDAKNGLRSA-N 2 0 213.281 -1.076 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000238081044 343240327 /nfs/dbraw/zinc/24/03/27/343240327.db2.gz ZSCDHONYHHMRDX-SNVBAGLBSA-N 2 0 226.324 -1.240 20 0 BAADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000238101908 182188816 /nfs/dbraw/zinc/18/88/16/182188816.db2.gz JFYQRNJWDHQIEJ-VIFPVBQESA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000238117142 182293849 /nfs/dbraw/zinc/29/38/49/182293849.db2.gz WBTFXCNGEGRNQN-BDAKNGLRSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000238141988 182329752 /nfs/dbraw/zinc/32/97/52/182329752.db2.gz WBTFXCNGEGRNQN-IUCAKERBSA-N 2 0 213.281 -1.157 20 0 BAADRP [NH3+]CCN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000244144073 388560198 /nfs/dbraw/zinc/56/01/98/388560198.db2.gz URAAWAUPUXIVSD-UHFFFAOYSA-N 2 0 241.339 -1.412 20 0 BAADRP O=S(=O)(N[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000257907347 634522264 /nfs/dbraw/zinc/52/22/64/634522264.db2.gz IMMKQAOJKOVOIF-SECBINFHSA-N 2 0 248.352 -1.522 20 0 BAADRP O=S(=O)(N[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000257907352 634523139 /nfs/dbraw/zinc/52/31/39/634523139.db2.gz IMMKQAOJKOVOIF-VIFPVBQESA-N 2 0 248.352 -1.522 20 0 BAADRP O=S(=O)(N[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000258024946 634547420 /nfs/dbraw/zinc/54/74/20/634547420.db2.gz RUWSWDAMLLVPED-MRVPVSSYSA-N 2 0 234.325 -1.912 20 0 BAADRP O=S(=O)(N[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000258024948 634546714 /nfs/dbraw/zinc/54/67/14/634546714.db2.gz RUWSWDAMLLVPED-QMMMGPOBSA-N 2 0 234.325 -1.912 20 0 BAADRP C[NH2+]CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000258071663 634561699 /nfs/dbraw/zinc/56/16/99/634561699.db2.gz VWFZODGHGQWTLY-UHFFFAOYSA-N 2 0 236.341 -1.665 20 0 BAADRP C[NH2+]CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000258112648 631356311 /nfs/dbraw/zinc/35/63/11/631356311.db2.gz YUXBKIKCCCCSSE-UHFFFAOYSA-N 2 0 222.314 -2.055 20 0 BAADRP CC[NH2+]CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261528128 535475181 /nfs/dbraw/zinc/47/51/81/535475181.db2.gz JNIVFAWDAYDRFD-MRVPVSSYSA-N 2 0 201.270 -1.300 20 0 BAADRP CC(C)([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261530868 535206417 /nfs/dbraw/zinc/20/64/17/535206417.db2.gz DIZMSOKSYDPJRT-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000261531968 535072046 /nfs/dbraw/zinc/07/20/46/535072046.db2.gz IOAFTKBIXBTGLA-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261534111 536375055 /nfs/dbraw/zinc/37/50/55/536375055.db2.gz NDSLDGSAEAUNID-KXUCPTDWSA-N 2 0 227.308 -1.080 20 0 BAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000261534112 536374127 /nfs/dbraw/zinc/37/41/27/536374127.db2.gz NDSLDGSAEAUNID-OPRDCNLKSA-N 2 0 227.308 -1.080 20 0 BAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261534113 536374180 /nfs/dbraw/zinc/37/41/80/536374180.db2.gz NDSLDGSAEAUNID-UTLUCORTSA-N 2 0 227.308 -1.080 20 0 BAADRP CN(CC[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000261536749 536368365 /nfs/dbraw/zinc/36/83/65/536368365.db2.gz STYFLCSVZFNNEU-UHFFFAOYSA-N 2 0 200.286 -1.691 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261537337 536557108 /nfs/dbraw/zinc/55/71/08/536557108.db2.gz VIFVVJOXRIFUEK-BIIVOSGPSA-N 2 0 201.270 -1.092 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000261539105 536373634 /nfs/dbraw/zinc/37/36/34/536373634.db2.gz BOKKLVBWKSMUDJ-RKDXNWHRSA-N 2 0 213.281 -1.205 20 0 BAADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261541773 135181527 /nfs/dbraw/zinc/18/15/27/135181527.db2.gz GFNQDSIGFWFSMJ-XHNCKOQMSA-N 2 0 213.281 -1.077 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[NH2+]CCO1 ZINC000261548894 135187158 /nfs/dbraw/zinc/18/71/58/135187158.db2.gz OAJRBFPRQLAZBS-XAVMHZPKSA-N 2 0 211.265 -1.691 20 0 BAADRP CS(=O)(=O)NCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261554160 135193960 /nfs/dbraw/zinc/19/39/60/135193960.db2.gz TZWGSRNXOZGOKZ-DTORHVGOSA-N 2 0 233.337 -1.313 20 0 BAADRP C[C@@H](C[NH3+])N(C)CCN1C(=O)CNC1=O ZINC000261555759 135194893 /nfs/dbraw/zinc/19/48/93/135194893.db2.gz VGJVHGCFBNJLFM-ZETCQYMHSA-N 2 0 214.269 -1.183 20 0 BAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH3+])C1 ZINC000261571681 135214412 /nfs/dbraw/zinc/21/44/12/135214412.db2.gz HRZMMSLFJQZMSC-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH3+])C1 ZINC000261571682 135214325 /nfs/dbraw/zinc/21/43/25/135214325.db2.gz HRZMMSLFJQZMSC-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000261580664 135221579 /nfs/dbraw/zinc/22/15/79/135221579.db2.gz NBJVOUXBAZLAJZ-DTWKUNHWSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000261580665 135221900 /nfs/dbraw/zinc/22/19/00/135221900.db2.gz NBJVOUXBAZLAJZ-RKDXNWHRSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000261588635 135229556 /nfs/dbraw/zinc/22/95/56/135229556.db2.gz SMOVLJAQLQYNHX-DTWKUNHWSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000261588637 135228964 /nfs/dbraw/zinc/22/89/64/135228964.db2.gz SMOVLJAQLQYNHX-RKDXNWHRSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCO2)CCC1 ZINC000261596362 135236357 /nfs/dbraw/zinc/23/63/57/135236357.db2.gz YTLFXDFLPMRBII-MRVPVSSYSA-N 2 0 213.281 -1.028 20 0 BAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1 ZINC000261597491 135236885 /nfs/dbraw/zinc/23/68/85/135236885.db2.gz ZCRIKWLXDNOLPE-SECBINFHSA-N 2 0 214.313 -1.268 20 0 BAADRP [NH3+]CCNC(=O)[C@H]1CCCN(CC[NH3+])C1 ZINC000261597492 135236990 /nfs/dbraw/zinc/23/69/90/135236990.db2.gz ZCRIKWLXDNOLPE-VIFPVBQESA-N 2 0 214.313 -1.268 20 0 BAADRP C[C@@H]1COCCN1CCNC(=O)C[NH3+] ZINC000261598367 135236963 /nfs/dbraw/zinc/23/69/63/135236963.db2.gz ZLJIGJSVUBXBNJ-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP C[C@H]1COCCN1CCNC(=O)C[NH3+] ZINC000261598368 135236916 /nfs/dbraw/zinc/23/69/16/135236916.db2.gz ZLJIGJSVUBXBNJ-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP O=C(C1C[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262339665 135293831 /nfs/dbraw/zinc/29/38/31/135293831.db2.gz SPALNBJRZQERTQ-LLVKDONJSA-N 2 0 238.335 -1.288 20 0 BAADRP O=C(C1C[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262339667 135293685 /nfs/dbraw/zinc/29/36/85/135293685.db2.gz SPALNBJRZQERTQ-NSHDSACASA-N 2 0 238.335 -1.288 20 0 BAADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCOCC[NH3+] ZINC000300936082 352579663 /nfs/dbraw/zinc/57/96/63/352579663.db2.gz CQWIPYGHMVSPRP-SSDOTTSWSA-N 2 0 232.284 -1.523 20 0 BAADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCOCC[NH3+] ZINC000300936091 352579852 /nfs/dbraw/zinc/57/98/52/352579852.db2.gz CQWIPYGHMVSPRP-ZETCQYMHSA-N 2 0 232.284 -1.523 20 0 BAADRP C(NC1=[NH+]CCCN1)[C@H]1C[NH+]2CCN1CC2 ZINC000305198011 527489449 /nfs/dbraw/zinc/48/94/49/527489449.db2.gz LUWBOWRSOGGODR-JTQLQIEISA-N 2 0 223.324 -1.075 20 0 BAADRP C(NC1=[NH+]CCCN1)[C@@H]1C[NH+]2CCN1CC2 ZINC000305198013 527488771 /nfs/dbraw/zinc/48/87/71/527488771.db2.gz LUWBOWRSOGGODR-SNVBAGLBSA-N 2 0 223.324 -1.075 20 0 BAADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000306066944 410025932 /nfs/dbraw/zinc/02/59/32/410025932.db2.gz YXVGCXFNYGWTKS-MRVPVSSYSA-N 2 0 246.311 -1.262 20 0 BAADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000306066945 384198232 /nfs/dbraw/zinc/19/82/32/384198232.db2.gz YXVGCXFNYGWTKS-QMMMGPOBSA-N 2 0 246.311 -1.262 20 0 BAADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000306437134 359945391 /nfs/dbraw/zinc/94/53/91/359945391.db2.gz IOAFTKBIXBTGLA-ZETCQYMHSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000306869942 259337723 /nfs/dbraw/zinc/33/77/23/259337723.db2.gz ULHFJPGXEIBOTO-HTQZYQBOSA-N 2 0 200.286 -1.565 20 0 BAADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000307174060 411467539 /nfs/dbraw/zinc/46/75/39/411467539.db2.gz DIZMSOKSYDPJRT-ZETCQYMHSA-N 2 0 201.270 -1.172 20 0 BAADRP CN(CC(=O)NC(N)=O)C1CC([NH3+])C1 ZINC000307453512 353077694 /nfs/dbraw/zinc/07/76/94/353077694.db2.gz VIDWDCGVYQKRHL-UHFFFAOYSA-N 2 0 200.242 -1.397 20 0 BAADRP C[C@H]([NH3+])CN(C)CCC(=O)NC(N)=O ZINC000308513309 631323206 /nfs/dbraw/zinc/32/32/06/631323206.db2.gz TVDCWGJSOHBXGC-LURJTMIESA-N 2 0 202.258 -1.150 20 0 BAADRP [NH3+]CCNC(=O)CN1CCNCC1=O ZINC000308837391 348771390 /nfs/dbraw/zinc/77/13/90/348771390.db2.gz LVZKMTDXJJIZQC-UHFFFAOYSA-N 2 0 200.242 -2.507 20 0 BAADRP [NH3+]CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000308850617 631693439 /nfs/dbraw/zinc/69/34/39/631693439.db2.gz RBVGSOBNOOCZGJ-MRVPVSSYSA-N 2 0 201.270 -1.170 20 0 BAADRP [NH3+]CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000308850618 631694188 /nfs/dbraw/zinc/69/41/88/631694188.db2.gz RBVGSOBNOOCZGJ-QMMMGPOBSA-N 2 0 201.270 -1.170 20 0 BAADRP C[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000308859719 173347987 /nfs/dbraw/zinc/34/79/87/173347987.db2.gz ZEDLXNDUBWBJLP-MRVPVSSYSA-N 2 0 201.270 -1.300 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000308870875 409928115 /nfs/dbraw/zinc/92/81/15/409928115.db2.gz JNIVFAWDAYDRFD-QMMMGPOBSA-N 2 0 201.270 -1.300 20 0 BAADRP CN(C(=O)COCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000308874625 537908772 /nfs/dbraw/zinc/90/87/72/537908772.db2.gz RYWUTYLNKMRXKT-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP CN(C(=O)COCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000308874626 537908697 /nfs/dbraw/zinc/90/86/97/537908697.db2.gz RYWUTYLNKMRXKT-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP C[NH2+]CCCNC(=O)COC1C[NH2+]C1 ZINC000308879601 349016620 /nfs/dbraw/zinc/01/66/20/349016620.db2.gz PIDZUEOASUDOCL-UHFFFAOYSA-N 2 0 201.270 -1.300 20 0 BAADRP CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]CCO1 ZINC000308882707 409934456 /nfs/dbraw/zinc/93/44/56/409934456.db2.gz UVWYAZHCHROFAB-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CCO1 ZINC000308882708 409934756 /nfs/dbraw/zinc/93/47/56/409934756.db2.gz UVWYAZHCHROFAB-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP CC[NH2+]CC(=O)NCC[NH2+]CCOC ZINC000308883792 632079731 /nfs/dbraw/zinc/07/97/31/632079731.db2.gz RRGCXPNENPXMTG-UHFFFAOYSA-N 2 0 203.286 -1.052 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000308886779 385252904 /nfs/dbraw/zinc/25/29/04/385252904.db2.gz WCQLYELPFDSACS-HTQZYQBOSA-N 2 0 201.270 -1.314 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000308886781 385252188 /nfs/dbraw/zinc/25/21/88/385252188.db2.gz WCQLYELPFDSACS-JGVFFNPUSA-N 2 0 201.270 -1.314 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000308914695 323181538 /nfs/dbraw/zinc/18/15/38/323181538.db2.gz AYMOFGYVZVYVCJ-HTQZYQBOSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000308914696 323181483 /nfs/dbraw/zinc/18/14/83/323181483.db2.gz AYMOFGYVZVYVCJ-JGVFFNPUSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000308914697 323181551 /nfs/dbraw/zinc/18/15/51/323181551.db2.gz AYMOFGYVZVYVCJ-SFYZADRCSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000308914698 323181540 /nfs/dbraw/zinc/18/15/40/323181540.db2.gz AYMOFGYVZVYVCJ-YUMQZZPRSA-N 2 0 201.270 -1.220 20 0 BAADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000308923005 349128678 /nfs/dbraw/zinc/12/86/78/349128678.db2.gz CPMGEYGWDUGMPQ-SFYZADRCSA-N 2 0 201.270 -1.220 20 0 BAADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000308923006 349128595 /nfs/dbraw/zinc/12/85/95/349128595.db2.gz CPMGEYGWDUGMPQ-YUMQZZPRSA-N 2 0 201.270 -1.220 20 0 BAADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000308930575 323181802 /nfs/dbraw/zinc/18/18/02/323181802.db2.gz FDPIXDDLYOMTJE-SFYZADRCSA-N 2 0 201.270 -1.090 20 0 BAADRP [NH3+]CCOCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000308992195 410194786 /nfs/dbraw/zinc/19/47/86/410194786.db2.gz LLQPAKBIFXSKOX-MRVPVSSYSA-N 2 0 201.270 -1.089 20 0 BAADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1COCCN1 ZINC000308995448 385337120 /nfs/dbraw/zinc/33/71/20/385337120.db2.gz MIPMNNDTITXQEU-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1COCCN1 ZINC000308995450 385337535 /nfs/dbraw/zinc/33/75/35/385337535.db2.gz MIPMNNDTITXQEU-SFYZADRCSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1COCCN1 ZINC000308995452 385338573 /nfs/dbraw/zinc/33/85/73/385338573.db2.gz MIPMNNDTITXQEU-YUMQZZPRSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000309002003 349267955 /nfs/dbraw/zinc/26/79/55/349267955.db2.gz OJFCJUXXQSSDPE-JGVFFNPUSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000309002004 346953924 /nfs/dbraw/zinc/95/39/24/346953924.db2.gz OJFCJUXXQSSDPE-YUMQZZPRSA-N 2 0 201.270 -1.220 20 0 BAADRP [NH3+]CCOCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000309003199 488004007 /nfs/dbraw/zinc/00/40/07/488004007.db2.gz OTZDHJNOBGUIQA-QMMMGPOBSA-N 2 0 201.270 -1.170 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000309004973 491051679 /nfs/dbraw/zinc/05/16/79/491051679.db2.gz PKSXMTGGHPRWKW-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H]([NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000309004974 488004349 /nfs/dbraw/zinc/00/43/49/488004349.db2.gz PKSXMTGGHPRWKW-ZETCQYMHSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000309013821 323081746 /nfs/dbraw/zinc/08/17/46/323081746.db2.gz SVCSTGXAGRMJCM-HTQZYQBOSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000309013822 349303704 /nfs/dbraw/zinc/30/37/04/349303704.db2.gz SVCSTGXAGRMJCM-JGVFFNPUSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000309013824 323189767 /nfs/dbraw/zinc/18/97/67/323189767.db2.gz SVCSTGXAGRMJCM-SFYZADRCSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000309013825 349303949 /nfs/dbraw/zinc/30/39/49/349303949.db2.gz SVCSTGXAGRMJCM-YUMQZZPRSA-N 2 0 201.270 -1.220 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C(=O)C[NH3+] ZINC000309016898 410850374 /nfs/dbraw/zinc/85/03/74/410850374.db2.gz UTKFDZYACHOCRB-UHFFFAOYSA-N 2 0 200.286 -1.691 20 0 BAADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000309016963 259341675 /nfs/dbraw/zinc/34/16/75/259341675.db2.gz UVIJTZOULSGBGP-SFYZADRCSA-N 2 0 201.270 -1.220 20 0 BAADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000309016964 323190107 /nfs/dbraw/zinc/19/01/07/323190107.db2.gz UVIJTZOULSGBGP-YUMQZZPRSA-N 2 0 201.270 -1.220 20 0 BAADRP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309017375 323190074 /nfs/dbraw/zinc/19/00/74/323190074.db2.gz 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ZINC000309025660 410200948 /nfs/dbraw/zinc/20/09/48/410200948.db2.gz ZUFYZJFSTRQANG-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H](C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000309070904 259438425 /nfs/dbraw/zinc/43/84/25/259438425.db2.gz CUOMANOGSJKFQC-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP [NH3+]CCOCC(=O)NCC[NH2+]C1CC1 ZINC000309074893 410221785 /nfs/dbraw/zinc/22/17/85/410221785.db2.gz IYPPLTKPLJQZHM-UHFFFAOYSA-N 2 0 201.270 -1.170 20 0 BAADRP [NH3+]CCOCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000309076823 410221022 /nfs/dbraw/zinc/22/10/22/410221022.db2.gz LLQPAKBIFXSKOX-QMMMGPOBSA-N 2 0 201.270 -1.089 20 0 BAADRP C[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000309087176 173348139 /nfs/dbraw/zinc/34/81/39/173348139.db2.gz ZEDLXNDUBWBJLP-QMMMGPOBSA-N 2 0 201.270 -1.300 20 0 BAADRP C[C@H](CC[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000309090201 323315754 /nfs/dbraw/zinc/31/57/54/323315754.db2.gz AVXHBBZIJOUEID-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H](CC[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000309090202 323315371 /nfs/dbraw/zinc/31/53/71/323315371.db2.gz AVXHBBZIJOUEID-ZETCQYMHSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC000309090266 488011371 /nfs/dbraw/zinc/01/13/71/488011371.db2.gz AXDJUESFCINFRL-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP C[C@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC000309090267 488011562 /nfs/dbraw/zinc/01/15/62/488011562.db2.gz AXDJUESFCINFRL-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000309095349 631879668 /nfs/dbraw/zinc/87/96/68/631879668.db2.gz COOQOPVRXMWERZ-QMMMGPOBSA-N 2 0 201.270 -1.172 20 0 BAADRP COCC[NH2+]CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000309096044 349984985 /nfs/dbraw/zinc/98/49/85/349984985.db2.gz CUWCBOYEHJYUTI-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP COCC[NH2+]CC(=O)N1CC[C@H]([NH3+])C1 ZINC000309096045 349985078 /nfs/dbraw/zinc/98/50/78/349985078.db2.gz CUWCBOYEHJYUTI-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP COC[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309099895 349986089 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C[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000309116220 385422381 /nfs/dbraw/zinc/42/23/81/385422381.db2.gz LQHCIRIADQPQLH-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000309116221 385423237 /nfs/dbraw/zinc/42/32/37/385423237.db2.gz LQHCIRIADQPQLH-SFYZADRCSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000309116222 385423272 /nfs/dbraw/zinc/42/32/72/385423272.db2.gz LQHCIRIADQPQLH-YUMQZZPRSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309118748 350035921 /nfs/dbraw/zinc/03/59/21/350035921.db2.gz MRDDYBKBWWQXHM-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309118749 350035792 /nfs/dbraw/zinc/03/57/92/350035792.db2.gz MRDDYBKBWWQXHM-YUMQZZPRSA-N 2 0 201.270 -1.172 20 0 BAADRP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309125279 350078667 /nfs/dbraw/zinc/07/86/67/350078667.db2.gz PICXBWSCBOGJAM-SFYZADRCSA-N 2 0 201.270 -1.172 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231.340 -1.042 20 0 BAADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH3+])C1 ZINC000309285674 632889119 /nfs/dbraw/zinc/88/91/19/632889119.db2.gz USRKSCDYUJHSDM-MNOVXSKESA-N 2 0 231.340 -1.042 20 0 BAADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])C1 ZINC000309285677 632888811 /nfs/dbraw/zinc/88/88/11/632888811.db2.gz USRKSCDYUJHSDM-QWRGUYRKSA-N 2 0 231.340 -1.042 20 0 BAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H]([NH3+])C1 ZINC000309285679 632889181 /nfs/dbraw/zinc/88/91/81/632889181.db2.gz USRKSCDYUJHSDM-WDEREUQCSA-N 2 0 231.340 -1.042 20 0 BAADRP [NH3+][C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000309334538 259342638 /nfs/dbraw/zinc/34/26/38/259342638.db2.gz AFVHTQOQOLAZMI-MRVPVSSYSA-N 2 0 213.281 -1.076 20 0 BAADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309358940 350351675 /nfs/dbraw/zinc/35/16/75/350351675.db2.gz ADOYSSQBJSKMKO-ODXREFDESA-N 2 0 213.281 -1.316 20 0 BAADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309358945 350351649 /nfs/dbraw/zinc/35/16/49/350351649.db2.gz ADOYSSQBJSKMKO-QHOPCYEYSA-N 2 0 213.281 -1.316 20 0 BAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000309359606 411108327 /nfs/dbraw/zinc/10/83/27/411108327.db2.gz AFZCQYFBXOQJAB-DJLDLDEBSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000309359608 411108214 /nfs/dbraw/zinc/10/82/14/411108214.db2.gz AFZCQYFBXOQJAB-HLTSFMKQSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000309359609 411107644 /nfs/dbraw/zinc/10/76/44/411107644.db2.gz AFZCQYFBXOQJAB-IWSPIJDZSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 ZINC000309359611 411108010 /nfs/dbraw/zinc/10/80/10/411108010.db2.gz AFZCQYFBXOQJAB-YIZRAAEISA-N 2 0 213.281 -1.077 20 0 BAADRP [NH3+][C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000309384201 323365492 /nfs/dbraw/zinc/36/54/92/323365492.db2.gz AFVHTQOQOLAZMI-QMMMGPOBSA-N 2 0 213.281 -1.076 20 0 BAADRP CC1(OCC(=O)N2CC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000309391463 411163056 /nfs/dbraw/zinc/16/30/56/411163056.db2.gz FXQDRDKHDSXXBS-MRVPVSSYSA-N 2 0 213.281 -1.076 20 0 BAADRP C[NH2+]CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000309421293 323082080 /nfs/dbraw/zinc/08/20/80/323082080.db2.gz JXFMBYBHZQLOQC-SECBINFHSA-N 2 0 214.313 -1.303 20 0 BAADRP C[NH2+]CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000309421296 387670495 /nfs/dbraw/zinc/67/04/95/387670495.db2.gz JXFMBYBHZQLOQC-VIFPVBQESA-N 2 0 214.313 -1.303 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000309474809 411497448 /nfs/dbraw/zinc/49/74/48/411497448.db2.gz BOKKLVBWKSMUDJ-BDAKNGLRSA-N 2 0 213.281 -1.205 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000309474810 487713074 /nfs/dbraw/zinc/71/30/74/487713074.db2.gz BOKKLVBWKSMUDJ-IUCAKERBSA-N 2 0 213.281 -1.205 20 0 BAADRP O=C(COC1C[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309486265 387804261 /nfs/dbraw/zinc/80/42/61/387804261.db2.gz GNTGWRKZFPHPMR-MBTKJCJQSA-N 2 0 211.265 -1.691 20 0 BAADRP O=C(COC1C[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000309489004 347077363 /nfs/dbraw/zinc/07/73/63/347077363.db2.gz HSABDXBGTFRLTQ-MRVPVSSYSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(COC1C[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000309489007 387804149 /nfs/dbraw/zinc/80/41/49/387804149.db2.gz HSABDXBGTFRLTQ-QMMMGPOBSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(COC1C[NH2+]C1)N1CCC[NH2+]CC1 ZINC000309493472 347076853 /nfs/dbraw/zinc/07/68/53/347076853.db2.gz JJBPFXVCDLIRQK-UHFFFAOYSA-N 2 0 213.281 -1.203 20 0 BAADRP CC[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000309496973 350613479 /nfs/dbraw/zinc/61/34/79/350613479.db2.gz UBTBBGQCJSXBNS-BDAKNGLRSA-N 2 0 214.313 -1.175 20 0 BAADRP CC[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000309496975 347077669 /nfs/dbraw/zinc/07/76/69/347077669.db2.gz UBTBBGQCJSXBNS-IUCAKERBSA-N 2 0 214.313 -1.175 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)CN1CCNCC1=O ZINC000309499056 411151208 /nfs/dbraw/zinc/15/12/08/411151208.db2.gz UMRYGJOGBDSXQT-SSDOTTSWSA-N 2 0 214.269 -2.118 20 0 BAADRP C[C@H]([NH3+])CNC(=O)CN1CCNCC1=O ZINC000309499057 411151224 /nfs/dbraw/zinc/15/12/24/411151224.db2.gz UMRYGJOGBDSXQT-ZETCQYMHSA-N 2 0 214.269 -2.118 20 0 BAADRP O=C(COC1C[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000309499322 323419022 /nfs/dbraw/zinc/41/90/22/323419022.db2.gz LBYPZVKLBXGNEO-MRVPVSSYSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(COC1C[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000309499324 387810457 /nfs/dbraw/zinc/81/04/57/387810457.db2.gz LBYPZVKLBXGNEO-QMMMGPOBSA-N 2 0 213.281 -1.157 20 0 BAADRP CC[C@H]([NH3+])C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000309510027 385645054 /nfs/dbraw/zinc/64/50/54/385645054.db2.gz XBHITVJKMKYDBE-YIZRAAEISA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@@H]([NH3+])CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000309511759 411157928 /nfs/dbraw/zinc/15/79/28/411157928.db2.gz XMVRFTXDJGEETJ-BDAKNGLRSA-N 2 0 214.313 -1.175 20 0 BAADRP C[C@H]([NH3+])CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000309511760 386015121 /nfs/dbraw/zinc/01/51/21/386015121.db2.gz XMVRFTXDJGEETJ-DTWKUNHWSA-N 2 0 214.313 -1.175 20 0 BAADRP C[C@H]([NH3+])CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000309511761 386015398 /nfs/dbraw/zinc/01/53/98/386015398.db2.gz XMVRFTXDJGEETJ-IUCAKERBSA-N 2 0 214.313 -1.175 20 0 BAADRP C[C@@H]([NH3+])CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000309511762 411157760 /nfs/dbraw/zinc/15/77/60/411157760.db2.gz XMVRFTXDJGEETJ-RKDXNWHRSA-N 2 0 214.313 -1.175 20 0 BAADRP C[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000309511768 411157656 /nfs/dbraw/zinc/15/76/56/411157656.db2.gz XMYMCVUWDJAYHE-SECBINFHSA-N 2 0 214.313 -1.303 20 0 BAADRP C[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000309511769 411157807 /nfs/dbraw/zinc/15/78/07/411157807.db2.gz XMYMCVUWDJAYHE-VIFPVBQESA-N 2 0 214.313 -1.303 20 0 BAADRP CN(C(=O)COC1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000309515634 323082256 /nfs/dbraw/zinc/08/22/56/323082256.db2.gz RIPLYALUTRCAPK-MRVPVSSYSA-N 2 0 213.281 -1.205 20 0 BAADRP CN(C(=O)COC1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000309515635 323421870 /nfs/dbraw/zinc/42/18/70/323421870.db2.gz RIPLYALUTRCAPK-QMMMGPOBSA-N 2 0 213.281 -1.205 20 0 BAADRP C[C@@H]1CN(CCNC(=O)C[NH3+])CCO1 ZINC000309534225 350707015 /nfs/dbraw/zinc/70/70/15/350707015.db2.gz DXYWWAQVZREIMD-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP C[C@H]1CN(CCNC(=O)C[NH3+])CCO1 ZINC000309534229 350707060 /nfs/dbraw/zinc/70/70/60/350707060.db2.gz DXYWWAQVZREIMD-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000309541990 326158188 /nfs/dbraw/zinc/15/81/88/326158188.db2.gz GTPBEURTSCMBBA-BDAKNGLRSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000309541992 326158379 /nfs/dbraw/zinc/15/83/79/326158379.db2.gz GTPBEURTSCMBBA-DTWKUNHWSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000309541994 326158756 /nfs/dbraw/zinc/15/87/56/326158756.db2.gz GTPBEURTSCMBBA-IUCAKERBSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000309541995 326158529 /nfs/dbraw/zinc/15/85/29/326158529.db2.gz GTPBEURTSCMBBA-RKDXNWHRSA-N 2 0 213.281 -1.076 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[NH2+]1 ZINC000309542421 326158018 /nfs/dbraw/zinc/15/80/18/326158018.db2.gz YRFZVOCMOYLFEC-HRDYMLBCSA-N 2 0 213.281 -1.471 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[NH2+]1 ZINC000309542422 326156748 /nfs/dbraw/zinc/15/67/48/326156748.db2.gz YRFZVOCMOYLFEC-IWSPIJDZSA-N 2 0 213.281 -1.471 20 0 BAADRP C[NH2+]C[C@@H](C)CNC(=O)COC1C[NH2+]C1 ZINC000309546203 326158678 /nfs/dbraw/zinc/15/86/78/326158678.db2.gz BQVXHAMIYYJVAX-MRVPVSSYSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@H](C)CNC(=O)COC1C[NH2+]C1 ZINC000309546205 326158349 /nfs/dbraw/zinc/15/83/49/326158349.db2.gz BQVXHAMIYYJVAX-QMMMGPOBSA-N 2 0 215.297 -1.054 20 0 BAADRP [NH3+]C[C@H]1CCCN1C(=O)COC1C[NH2+]C1 ZINC000309549394 350747699 /nfs/dbraw/zinc/74/76/99/350747699.db2.gz JMXAMMMRMXKAJM-MRVPVSSYSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]C[C@@H]1CCCN1C(=O)COC1C[NH2+]C1 ZINC000309549396 350748658 /nfs/dbraw/zinc/74/86/58/350748658.db2.gz JMXAMMMRMXKAJM-QMMMGPOBSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000309581329 410964405 /nfs/dbraw/zinc/96/44/05/410964405.db2.gz SMOVLJAQLQYNHX-BDAKNGLRSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000309581330 491120109 /nfs/dbraw/zinc/12/01/09/491120109.db2.gz SMOVLJAQLQYNHX-IUCAKERBSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+]C[C@@H](NC(=O)COC1C[NH2+]C1)C1CC1 ZINC000309592114 370234069 /nfs/dbraw/zinc/23/40/69/370234069.db2.gz HCEJGVDEAPQLQL-SECBINFHSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+]C[C@H](NC(=O)COC1C[NH2+]C1)C1CC1 ZINC000309592115 370234157 /nfs/dbraw/zinc/23/41/57/370234157.db2.gz HCEJGVDEAPQLQL-VIFPVBQESA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+]CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000309600370 398303875 /nfs/dbraw/zinc/30/38/75/398303875.db2.gz JVLPBQSSCVVGHL-UHFFFAOYSA-N 2 0 214.313 -1.253 20 0 BAADRP C[NH2+]CC(=O)NCCCN1CC[NH2+]CC1 ZINC000309604529 342745365 /nfs/dbraw/zinc/74/53/65/342745365.db2.gz XMKZFWNKIHGRKB-UHFFFAOYSA-N 2 0 214.313 -1.383 20 0 BAADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000309613074 411185381 /nfs/dbraw/zinc/18/53/81/411185381.db2.gz NBJVOUXBAZLAJZ-BDAKNGLRSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000309613075 411185442 /nfs/dbraw/zinc/18/54/42/411185442.db2.gz NBJVOUXBAZLAJZ-IUCAKERBSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+]C1(CNC(=O)COC2C[NH2+]C2)CCC1 ZINC000309613634 342753342 /nfs/dbraw/zinc/75/33/42/342753342.db2.gz NGNNAOHQHNUBFN-UHFFFAOYSA-N 2 0 213.281 -1.028 20 0 BAADRP C[NH2+]CCC(=O)NCCN1CC[NH2+]CC1 ZINC000309625438 342760492 /nfs/dbraw/zinc/76/04/92/342760492.db2.gz IVKRQHVDDSJAFB-UHFFFAOYSA-N 2 0 214.313 -1.383 20 0 BAADRP COCC[NH2+]CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309628854 342760001 /nfs/dbraw/zinc/76/00/01/342760001.db2.gz JTNWESKIBPJKDV-MBTKJCJQSA-N 2 0 213.281 -1.444 20 0 BAADRP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]CC1 ZINC000309631410 370236099 /nfs/dbraw/zinc/23/60/99/370236099.db2.gz KRXFVFBOLJLIGU-UHFFFAOYSA-N 2 0 213.281 -1.203 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[NH2+]CCO1 ZINC000309639226 488004430 /nfs/dbraw/zinc/00/44/30/488004430.db2.gz OAJRBFPRQLAZBS-UYXSQOIJSA-N 2 0 211.265 -1.691 20 0 BAADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000309654483 411195093 /nfs/dbraw/zinc/19/50/93/411195093.db2.gz YTLFXDFLPMRBII-QMMMGPOBSA-N 2 0 213.281 -1.028 20 0 BAADRP CN1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000309757701 326166659 /nfs/dbraw/zinc/16/66/59/326166659.db2.gz HYGPDTXLBJYUPP-DTWKUNHWSA-N 2 0 212.297 -1.550 20 0 BAADRP CN1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](C[NH3+])C1 ZINC000309757703 326167110 /nfs/dbraw/zinc/16/71/10/326167110.db2.gz HYGPDTXLBJYUPP-RKDXNWHRSA-N 2 0 212.297 -1.550 20 0 BAADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000309846326 326171656 /nfs/dbraw/zinc/17/16/56/326171656.db2.gz UFMKEGZZVXOVNK-DTWKUNHWSA-N 2 0 215.297 -1.175 20 0 BAADRP COCCOCCN(C)C[C@H](O)C[NH3+] ZINC000336691200 174352365 /nfs/dbraw/zinc/35/23/65/174352365.db2.gz PMZFOYURPKVMGF-SECBINFHSA-N 2 0 206.286 -1.099 20 0 BAADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[NH+](C)C ZINC000336703935 386392536 /nfs/dbraw/zinc/39/25/36/386392536.db2.gz CCIZGIFNDLEBPQ-SNVBAGLBSA-N 2 0 244.339 -1.236 20 0 BAADRP CN(CCC[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000336753726 386168830 /nfs/dbraw/zinc/16/88/30/386168830.db2.gz WOTNWNAKTZWIEG-UHFFFAOYSA-N 3 0 214.313 -1.301 20 0 BAADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340177169 385822151 /nfs/dbraw/zinc/82/21/51/385822151.db2.gz MQICAHAYZYKFOX-BDAKNGLRSA-N 2 0 242.323 -1.210 20 0 BAADRP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340177170 385822324 /nfs/dbraw/zinc/82/23/24/385822324.db2.gz MQICAHAYZYKFOX-DTWKUNHWSA-N 2 0 242.323 -1.210 20 0 BAADRP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340177171 385821954 /nfs/dbraw/zinc/82/19/54/385821954.db2.gz MQICAHAYZYKFOX-IUCAKERBSA-N 2 0 242.323 -1.210 20 0 BAADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340177172 385822808 /nfs/dbraw/zinc/82/28/08/385822808.db2.gz MQICAHAYZYKFOX-RKDXNWHRSA-N 2 0 242.323 -1.210 20 0 BAADRP CC[N@H+](CCNC(=O)CNC(=O)C[NH3+])C(C)C ZINC000347653098 136001605 /nfs/dbraw/zinc/00/16/05/136001605.db2.gz MMMNUEULAKBUND-UHFFFAOYSA-N 2 0 244.339 -1.092 20 0 BAADRP C[NH+](C)[C@H](CNC(=O)CNC(=O)C[NH3+])C1CC1 ZINC000347658144 172532871 /nfs/dbraw/zinc/53/28/71/172532871.db2.gz XGNRPYIDXXBNKG-SECBINFHSA-N 2 0 242.323 -1.482 20 0 BAADRP C[NH+](C)[C@@H](CNC(=O)CNC(=O)C[NH3+])C1CC1 ZINC000347658155 172520978 /nfs/dbraw/zinc/52/09/78/172520978.db2.gz XGNRPYIDXXBNKG-VIFPVBQESA-N 2 0 242.323 -1.482 20 0 BAADRP CCCC[N@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000347682269 488088855 /nfs/dbraw/zinc/08/88/55/488088855.db2.gz FFFPCKLDTGZCLZ-UHFFFAOYSA-N 2 0 244.339 -1.091 20 0 BAADRP C[N@H+](C[C@H](O)CN1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000351581161 136369605 /nfs/dbraw/zinc/36/96/05/136369605.db2.gz MYSWOEWHJVIGST-SRVKXCTJSA-N 2 0 244.335 -1.131 20 0 BAADRP C[N@H+](C[C@H](O)CN1C[C@H](O)C[C@@H]1CO)C1CC1 ZINC000351581169 136369429 /nfs/dbraw/zinc/36/94/29/136369429.db2.gz MYSWOEWHJVIGST-UTUOFQBUSA-N 2 0 244.335 -1.131 20 0 BAADRP C[N@H+](C[C@H](O)CN1C[C@@H](O)C[C@@H]1CO)C1CC1 ZINC000351581172 136369461 /nfs/dbraw/zinc/36/94/61/136369461.db2.gz MYSWOEWHJVIGST-WOPDTQHZSA-N 2 0 244.335 -1.131 20 0 BAADRP C[NH+](CCC[N@@H+](C)CCC(N)=O)CCC(N)=O ZINC000353163660 387146795 /nfs/dbraw/zinc/14/67/95/387146795.db2.gz CWSOTZGTPVEZOB-UHFFFAOYSA-N 2 0 244.339 -1.009 20 0 BAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000353437178 174311927 /nfs/dbraw/zinc/31/19/27/174311927.db2.gz BOQWFKUPRYRHTP-NXEZZACHSA-N 2 0 245.323 -1.203 20 0 BAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000353437194 174314375 /nfs/dbraw/zinc/31/43/75/174314375.db2.gz BOQWFKUPRYRHTP-UWVGGRQHSA-N 2 0 245.323 -1.203 20 0 BAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000353437197 174314908 /nfs/dbraw/zinc/31/49/08/174314908.db2.gz BOQWFKUPRYRHTP-VHSXEESVSA-N 2 0 245.323 -1.203 20 0 BAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000353437201 174311748 /nfs/dbraw/zinc/31/17/48/174311748.db2.gz BOQWFKUPRYRHTP-ZJUUUORDSA-N 2 0 245.323 -1.203 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NCCN1CCOC[C@@H]1C ZINC000353455874 385704582 /nfs/dbraw/zinc/70/45/82/385704582.db2.gz YPJZJDBKKREPHB-UWVGGRQHSA-N 2 0 245.323 -1.203 20 0 BAADRP CO[C@H](C[NH3+])C(=O)NCCN1CCOC[C@@H]1C ZINC000353455875 385704843 /nfs/dbraw/zinc/70/48/43/385704843.db2.gz YPJZJDBKKREPHB-VHSXEESVSA-N 2 0 245.323 -1.203 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NCCN1CCOC[C@H]1C ZINC000353455876 385705226 /nfs/dbraw/zinc/70/52/26/385705226.db2.gz YPJZJDBKKREPHB-ZJUUUORDSA-N 2 0 245.323 -1.203 20 0 BAADRP C[NH+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000357250017 386748098 /nfs/dbraw/zinc/74/80/98/386748098.db2.gz SXSMONQXBDSICX-SECBINFHSA-N 2 0 242.323 -1.468 20 0 BAADRP C[NH+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357250030 386748216 /nfs/dbraw/zinc/74/82/16/386748216.db2.gz SXSMONQXBDSICX-VIFPVBQESA-N 2 0 242.323 -1.468 20 0 BAADRP C[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358427134 386953807 /nfs/dbraw/zinc/95/38/07/386953807.db2.gz USUXPRGKBZAPDR-JTQLQIEISA-N 2 0 215.297 -1.269 20 0 BAADRP C[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358427135 386953766 /nfs/dbraw/zinc/95/37/66/386953766.db2.gz USUXPRGKBZAPDR-SNVBAGLBSA-N 2 0 215.297 -1.269 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359411198 387098733 /nfs/dbraw/zinc/09/87/33/387098733.db2.gz MREWXNCDKDCBOL-AEJSXWLSSA-N 2 0 225.292 -1.347 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359411202 387098823 /nfs/dbraw/zinc/09/88/23/387098823.db2.gz MREWXNCDKDCBOL-BBBLOLIVSA-N 2 0 225.292 -1.347 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359411207 387098745 /nfs/dbraw/zinc/09/87/45/387098745.db2.gz MREWXNCDKDCBOL-GUBZILKMSA-N 2 0 225.292 -1.347 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359411209 182640042 /nfs/dbraw/zinc/64/00/42/182640042.db2.gz MREWXNCDKDCBOL-KXUCPTDWSA-N 2 0 225.292 -1.347 20 0 BAADRP C[NH+](C)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000362347223 387599027 /nfs/dbraw/zinc/59/90/27/387599027.db2.gz SLNBBQWEKRTTPK-UHFFFAOYSA-N 2 0 228.340 -1.088 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366526347 386738339 /nfs/dbraw/zinc/73/83/39/386738339.db2.gz OBCDNOYDLBQNSU-AEJSXWLSSA-N 2 0 225.292 -1.205 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366526348 386737567 /nfs/dbraw/zinc/73/75/67/386737567.db2.gz OBCDNOYDLBQNSU-IVZWLZJFSA-N 2 0 225.292 -1.205 20 0 BAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000366555728 182229671 /nfs/dbraw/zinc/22/96/71/182229671.db2.gz NEEKGRZTOCMQFL-CIUDSAMLSA-N 2 0 231.271 -1.209 20 0 BAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000366555729 182229170 /nfs/dbraw/zinc/22/91/70/182229170.db2.gz NEEKGRZTOCMQFL-XHNCKOQMSA-N 2 0 231.271 -1.209 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@]1(F)CC[NH2+]C1 ZINC000367034704 136079716 /nfs/dbraw/zinc/07/97/16/136079716.db2.gz ZLBBCEFPTAYPLE-NRPADANISA-N 2 0 231.271 -1.616 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@]1(F)CC[NH2+]C1 ZINC000367034705 136079866 /nfs/dbraw/zinc/07/98/66/136079866.db2.gz ZLBBCEFPTAYPLE-OYNCUSHFSA-N 2 0 231.271 -1.616 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@]1(F)CC[NH2+]C1 ZINC000367034706 136079745 /nfs/dbraw/zinc/07/97/45/136079745.db2.gz ZLBBCEFPTAYPLE-QXFUBDJGSA-N 2 0 231.271 -1.616 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@]1(F)CC[NH2+]C1 ZINC000367034707 136079747 /nfs/dbraw/zinc/07/97/47/136079747.db2.gz ZLBBCEFPTAYPLE-XKSSXDPKSA-N 2 0 231.271 -1.616 20 0 BAADRP O=C(C1C[NH2+]C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367652250 181872729 /nfs/dbraw/zinc/87/27/29/181872729.db2.gz BRWCTYWTBRRDBG-BDAKNGLRSA-N 2 0 211.265 -1.595 20 0 BAADRP C[NH+](C)C[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000367830355 387757371 /nfs/dbraw/zinc/75/73/71/387757371.db2.gz GXKLCCKHKLQEQG-JTQLQIEISA-N 2 0 227.308 -1.005 20 0 BAADRP C[NH+](C)C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000367830357 387757964 /nfs/dbraw/zinc/75/79/64/387757964.db2.gz GXKLCCKHKLQEQG-SNVBAGLBSA-N 2 0 227.308 -1.005 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000368560583 182186403 /nfs/dbraw/zinc/18/64/03/182186403.db2.gz DBUJRDMDWBJKSK-LLVKDONJSA-N 2 0 244.314 -1.291 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000368560584 182186957 /nfs/dbraw/zinc/18/69/57/182186957.db2.gz DBUJRDMDWBJKSK-NSHDSACASA-N 2 0 244.314 -1.291 20 0 BAADRP O=C(NC1C[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372567344 182119429 /nfs/dbraw/zinc/11/94/29/182119429.db2.gz FTZQYJWBEVDTRB-UHFFFAOYSA-N 2 0 221.264 -1.243 20 0 BAADRP O=C(C1C[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377531064 387722369 /nfs/dbraw/zinc/72/23/69/387722369.db2.gz SVGBRJKOWTVAHJ-LLVKDONJSA-N 2 0 238.335 -1.288 20 0 BAADRP O=C(C1C[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377531067 181872841 /nfs/dbraw/zinc/87/28/41/181872841.db2.gz SVGBRJKOWTVAHJ-NSHDSACASA-N 2 0 238.335 -1.288 20 0 BAADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000378709161 371015465 /nfs/dbraw/zinc/01/54/65/371015465.db2.gz RSXSYUOXNAQSIK-DJLDLDEBSA-N 2 0 215.297 -1.191 20 0 BAADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000378709164 371016839 /nfs/dbraw/zinc/01/68/39/371016839.db2.gz RSXSYUOXNAQSIK-XHNCKOQMSA-N 2 0 215.297 -1.191 20 0 BAADRP [NH3+]CCOCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378745131 388492787 /nfs/dbraw/zinc/49/27/87/388492787.db2.gz QYPHJGQIZQOZNF-YUMQZZPRSA-N 2 0 219.260 -1.222 20 0 BAADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378795439 388504378 /nfs/dbraw/zinc/50/43/78/388504378.db2.gz QHBOQQMKSNQNRJ-FXQIFTODSA-N 2 0 219.260 -1.224 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[NH2+]1 ZINC000378808844 346837304 /nfs/dbraw/zinc/83/73/04/346837304.db2.gz YRFZVOCMOYLFEC-XHNCKOQMSA-N 2 0 213.281 -1.471 20 0 BAADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000379468184 398146445 /nfs/dbraw/zinc/14/64/45/398146445.db2.gz ZGRUJUXNCROUCE-MRVPVSSYSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000379468185 358501158 /nfs/dbraw/zinc/50/11/58/358501158.db2.gz ZGRUJUXNCROUCE-QMMMGPOBSA-N 2 0 213.281 -1.157 20 0 BAADRP COC[C@@]1(C(=O)NCC[NH3+])CC[NH2+]C1 ZINC000379586299 359561076 /nfs/dbraw/zinc/56/10/76/359561076.db2.gz QSSZSPIJPXXPCK-SECBINFHSA-N 2 0 201.270 -1.313 20 0 BAADRP COC[C@]1(C(=O)NCC[NH3+])CC[NH2+]C1 ZINC000379586300 359560751 /nfs/dbraw/zinc/56/07/51/359560751.db2.gz QSSZSPIJPXXPCK-VIFPVBQESA-N 2 0 201.270 -1.313 20 0 BAADRP COCC[N@H+](C)C[C@@H](O)CN(C)CC[NH3+] ZINC000379790909 712399480 /nfs/dbraw/zinc/39/94/80/712399480.db2.gz JGRHDKFJBPBLMS-JTQLQIEISA-N 2 0 219.329 -1.184 20 0 BAADRP COCC[N@H+](C)C[C@H](O)CN(C)CC[NH3+] ZINC000379790925 712399499 /nfs/dbraw/zinc/39/94/99/712399499.db2.gz JGRHDKFJBPBLMS-SNVBAGLBSA-N 2 0 219.329 -1.184 20 0 BAADRP CC(C)([NH3+])CNC(=O)COC1C[NH2+]C1 ZINC000379805778 365275095 /nfs/dbraw/zinc/27/50/95/365275095.db2.gz NUULHSZHVVIZPM-UHFFFAOYSA-N 2 0 201.270 -1.172 20 0 BAADRP CC(C)(C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000379900186 365429686 /nfs/dbraw/zinc/42/96/86/365429686.db2.gz FCYLVWJYAVIGAP-UHFFFAOYSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H]1CN(C(=O)COCC[NH3+])CC[NH2+]1 ZINC000379962358 398176490 /nfs/dbraw/zinc/17/64/90/398176490.db2.gz GUFQMAOWEVBYPY-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP C[NH2+]CCNC(=O)CCOC1C[NH2+]C1 ZINC000379996249 365788031 /nfs/dbraw/zinc/78/80/31/365788031.db2.gz JPFDPRNPQCAIBW-UHFFFAOYSA-N 2 0 201.270 -1.300 20 0 BAADRP C[NH2+]CCCNC(=O)C[NH2+]CCOC ZINC000379998732 398243321 /nfs/dbraw/zinc/24/33/21/398243321.db2.gz LFZYEUNGDNXKLG-UHFFFAOYSA-N 2 0 203.286 -1.052 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@H]1CC[NH2+]1 ZINC000380016127 365808098 /nfs/dbraw/zinc/80/80/98/365808098.db2.gz UDTLOOKKQIOURV-MRVPVSSYSA-N 2 0 201.270 -1.300 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000380075754 398183017 /nfs/dbraw/zinc/18/30/17/398183017.db2.gz FHZNTJNHPXPRCU-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H]([NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000380075755 398183406 /nfs/dbraw/zinc/18/34/06/398183406.db2.gz FHZNTJNHPXPRCU-ZETCQYMHSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000380077089 398243868 /nfs/dbraw/zinc/24/38/68/398243868.db2.gz FQFBZTOECKKSTI-HTQZYQBOSA-N 2 0 201.270 -1.090 20 0 BAADRP CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000380077090 398243802 /nfs/dbraw/zinc/24/38/02/398243802.db2.gz FQFBZTOECKKSTI-JGVFFNPUSA-N 2 0 201.270 -1.090 20 0 BAADRP COC(=O)[C@H]1C[NH2+]CCCN1CC[NH3+] ZINC000380091631 343678316 /nfs/dbraw/zinc/67/83/16/343678316.db2.gz JAXNFSFLHMEPJZ-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC[NH3+] ZINC000380091635 343678098 /nfs/dbraw/zinc/67/80/98/343678098.db2.gz JAXNFSFLHMEPJZ-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000380111636 398187126 /nfs/dbraw/zinc/18/71/26/398187126.db2.gz OJFCJUXXQSSDPE-HTQZYQBOSA-N 2 0 201.270 -1.220 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000380111639 398187287 /nfs/dbraw/zinc/18/72/87/398187287.db2.gz OJFCJUXXQSSDPE-SFYZADRCSA-N 2 0 201.270 -1.220 20 0 BAADRP COC[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000380121219 398188412 /nfs/dbraw/zinc/18/84/12/398188412.db2.gz QMBWWSAJTMPNIZ-QMMMGPOBSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000380136578 398244566 /nfs/dbraw/zinc/24/45/66/398244566.db2.gz USETWSNUCMVBJR-HTQZYQBOSA-N 2 0 201.270 -1.090 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH3+] ZINC000380136581 365909030 /nfs/dbraw/zinc/90/90/30/365909030.db2.gz USETWSNUCMVBJR-JGVFFNPUSA-N 2 0 201.270 -1.090 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000380136584 365908093 /nfs/dbraw/zinc/90/80/93/365908093.db2.gz USETWSNUCMVBJR-SFYZADRCSA-N 2 0 201.270 -1.090 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH3+] ZINC000380136586 365909352 /nfs/dbraw/zinc/90/93/52/365909352.db2.gz USETWSNUCMVBJR-YUMQZZPRSA-N 2 0 201.270 -1.090 20 0 BAADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000380138205 344695914 /nfs/dbraw/zinc/69/59/14/344695914.db2.gz VAKVOIHBOJIUNO-SFYZADRCSA-N 2 0 201.270 -1.172 20 0 BAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C[NH3+])OC ZINC000380153467 346532038 /nfs/dbraw/zinc/53/20/38/346532038.db2.gz YHPBPDOGEDMCAE-HTQZYQBOSA-N 2 0 203.286 -1.068 20 0 BAADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C[NH3+])OC ZINC000380153469 346531949 /nfs/dbraw/zinc/53/19/49/346531949.db2.gz YHPBPDOGEDMCAE-JGVFFNPUSA-N 2 0 203.286 -1.068 20 0 BAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H](C[NH3+])OC ZINC000380153472 346531927 /nfs/dbraw/zinc/53/19/27/346531927.db2.gz YHPBPDOGEDMCAE-SFYZADRCSA-N 2 0 203.286 -1.068 20 0 BAADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C[NH3+])OC ZINC000380153474 346531991 /nfs/dbraw/zinc/53/19/91/346531991.db2.gz YHPBPDOGEDMCAE-YUMQZZPRSA-N 2 0 203.286 -1.068 20 0 BAADRP C[C@@H]1CN(C(=O)COCC[NH3+])CC[NH2+]1 ZINC000380185507 398189814 /nfs/dbraw/zinc/18/98/14/398189814.db2.gz GUFQMAOWEVBYPY-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP [NH3+]CCOCC(=O)NCC1([NH3+])CCC1 ZINC000380234900 397855937 /nfs/dbraw/zinc/85/59/37/397855937.db2.gz MEOMWKGPEOLOPU-UHFFFAOYSA-N 2 0 201.270 -1.041 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000380237422 344728947 /nfs/dbraw/zinc/72/89/47/344728947.db2.gz MRDDYBKBWWQXHM-HTQZYQBOSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000380237425 367157917 /nfs/dbraw/zinc/15/79/17/367157917.db2.gz MRDDYBKBWWQXHM-SFYZADRCSA-N 2 0 201.270 -1.172 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@H](C)C[NH3+] ZINC000380310168 346252659 /nfs/dbraw/zinc/25/26/59/346252659.db2.gz GTSQTYNNIFSRSO-MRVPVSSYSA-N 2 0 203.286 -1.067 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@@H](C)C[NH3+] ZINC000380310174 367175519 /nfs/dbraw/zinc/17/55/19/367175519.db2.gz GTSQTYNNIFSRSO-QMMMGPOBSA-N 2 0 203.286 -1.067 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000380313722 346319754 /nfs/dbraw/zinc/31/97/54/346319754.db2.gz IAMZMZCTYCJBIP-HTQZYQBOSA-N 2 0 201.270 -1.090 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000380313724 346319947 /nfs/dbraw/zinc/31/99/47/346319947.db2.gz IAMZMZCTYCJBIP-SFYZADRCSA-N 2 0 201.270 -1.090 20 0 BAADRP [NH3+]CCOCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000380332910 397797294 /nfs/dbraw/zinc/79/72/94/397797294.db2.gz OTZDHJNOBGUIQA-MRVPVSSYSA-N 2 0 201.270 -1.170 20 0 BAADRP [NH3+]CCOCCN1CCO[C@H](C[NH3+])C1 ZINC000380340279 346934114 /nfs/dbraw/zinc/93/41/14/346934114.db2.gz RIXLGQYNLHIFOF-SECBINFHSA-N 2 0 203.286 -1.379 20 0 BAADRP [NH3+]CCOCCN1CCO[C@@H](C[NH3+])C1 ZINC000380340281 346934062 /nfs/dbraw/zinc/93/40/62/346934062.db2.gz RIXLGQYNLHIFOF-VIFPVBQESA-N 2 0 203.286 -1.379 20 0 BAADRP C[NH2+]CCC(=O)NCC[NH2+]CCOC ZINC000380344397 347187453 /nfs/dbraw/zinc/18/74/53/347187453.db2.gz SRNJIIYZPPRPFL-UHFFFAOYSA-N 2 0 203.286 -1.052 20 0 BAADRP NC(=O)NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380727257 367285484 /nfs/dbraw/zinc/28/54/84/367285484.db2.gz POMKLALTTQBSRF-HTQZYQBOSA-N 2 0 226.280 -1.277 20 0 BAADRP NC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380727264 367285282 /nfs/dbraw/zinc/28/52/82/367285282.db2.gz POMKLALTTQBSRF-JGVFFNPUSA-N 2 0 226.280 -1.277 20 0 BAADRP NC(=O)NC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380727271 367285545 /nfs/dbraw/zinc/28/55/45/367285545.db2.gz POMKLALTTQBSRF-SFYZADRCSA-N 2 0 226.280 -1.277 20 0 BAADRP NC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000380727274 367285531 /nfs/dbraw/zinc/28/55/31/367285531.db2.gz POMKLALTTQBSRF-YUMQZZPRSA-N 2 0 226.280 -1.277 20 0 BAADRP CC1(OCC(=O)N2CC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000381047609 411284624 /nfs/dbraw/zinc/28/46/24/411284624.db2.gz FXQDRDKHDSXXBS-QMMMGPOBSA-N 2 0 213.281 -1.076 20 0 BAADRP C[C@@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000381294055 398250536 /nfs/dbraw/zinc/25/05/36/398250536.db2.gz FQDNNARIWOGNHQ-SECBINFHSA-N 2 0 214.313 -1.255 20 0 BAADRP C[C@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000381294061 398250472 /nfs/dbraw/zinc/25/04/72/398250472.db2.gz FQDNNARIWOGNHQ-VIFPVBQESA-N 2 0 214.313 -1.255 20 0 BAADRP C[C@@H]([NH3+])CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000381308160 367378629 /nfs/dbraw/zinc/37/86/29/367378629.db2.gz KNBQZNUJYVFCOL-SECBINFHSA-N 2 0 214.313 -1.303 20 0 BAADRP C[C@H]([NH3+])CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000381308164 367378125 /nfs/dbraw/zinc/37/81/25/367378125.db2.gz KNBQZNUJYVFCOL-VIFPVBQESA-N 2 0 214.313 -1.303 20 0 BAADRP [NH3+][C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000381312540 367379473 /nfs/dbraw/zinc/37/94/73/367379473.db2.gz PPAVMPXQRAHSNU-MRVPVSSYSA-N 2 0 213.281 -1.076 20 0 BAADRP C[C@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000381344965 398253580 /nfs/dbraw/zinc/25/35/80/398253580.db2.gz YSWFXFSMEXKMMW-BDAKNGLRSA-N 3 0 214.313 -1.318 20 0 BAADRP C[C@@H](C[NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000381344967 398253682 /nfs/dbraw/zinc/25/36/82/398253682.db2.gz YSWFXFSMEXKMMW-DTWKUNHWSA-N 3 0 214.313 -1.318 20 0 BAADRP C[C@@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000381344969 398253560 /nfs/dbraw/zinc/25/35/60/398253560.db2.gz YSWFXFSMEXKMMW-IUCAKERBSA-N 3 0 214.313 -1.318 20 0 BAADRP C[C@H](C[NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000381344970 398253648 /nfs/dbraw/zinc/25/36/48/398253648.db2.gz YSWFXFSMEXKMMW-RKDXNWHRSA-N 3 0 214.313 -1.318 20 0 BAADRP CN1CCN(C(=O)CCC[NH3+])[C@H](C[NH3+])C1 ZINC000381373346 367390132 /nfs/dbraw/zinc/39/01/32/367390132.db2.gz IFGARKVEADSEPH-SECBINFHSA-N 3 0 214.313 -1.173 20 0 BAADRP CN1CCN(C(=O)CCC[NH3+])[C@@H](C[NH3+])C1 ZINC000381373355 367390220 /nfs/dbraw/zinc/39/02/20/367390220.db2.gz IFGARKVEADSEPH-VIFPVBQESA-N 3 0 214.313 -1.173 20 0 BAADRP C[C@H](C[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000381489718 346039882 /nfs/dbraw/zinc/03/98/82/346039882.db2.gz WWMDJRTVHAOJLI-SECBINFHSA-N 2 0 214.313 -1.397 20 0 BAADRP C[C@@H](C[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000381489719 346040069 /nfs/dbraw/zinc/04/00/69/346040069.db2.gz WWMDJRTVHAOJLI-VIFPVBQESA-N 2 0 214.313 -1.397 20 0 BAADRP C[NH2+]CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000381510760 398261190 /nfs/dbraw/zinc/26/11/90/398261190.db2.gz PAAHITPBKYVLIA-UHFFFAOYSA-N 2 0 214.313 -1.431 20 0 BAADRP O=C1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C(=O)N1 ZINC000381510917 710649451 /nfs/dbraw/zinc/64/94/51/710649451.db2.gz WJVGERKCVOPVNS-CIUDSAMLSA-N 2 0 223.276 -1.057 20 0 BAADRP O=C1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C(=O)N1 ZINC000381510919 710649044 /nfs/dbraw/zinc/64/90/44/710649044.db2.gz WJVGERKCVOPVNS-HLTSFMKQSA-N 2 0 223.276 -1.057 20 0 BAADRP C[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000381544299 346315703 /nfs/dbraw/zinc/31/57/03/346315703.db2.gz JWZCKTMOFRZMAH-SECBINFHSA-N 2 0 214.313 -1.255 20 0 BAADRP CC1(OCC(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000381576137 398263650 /nfs/dbraw/zinc/26/36/50/398263650.db2.gz CHUKLPWGHUJJOX-MRVPVSSYSA-N 2 0 213.281 -1.157 20 0 BAADRP CC1(OCC(=O)N[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000381576142 397760726 /nfs/dbraw/zinc/76/07/26/397760726.db2.gz CHUKLPWGHUJJOX-QMMMGPOBSA-N 2 0 213.281 -1.157 20 0 BAADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)CC[NH2+]1 ZINC000381579017 346382535 /nfs/dbraw/zinc/38/25/35/346382535.db2.gz DOYGGCGZRLEBKG-MRVPVSSYSA-N 2 0 213.281 -1.205 20 0 BAADRP C[C@H]1CN(C(=O)COC2C[NH2+]C2)CC[NH2+]1 ZINC000381579020 346382850 /nfs/dbraw/zinc/38/28/50/346382850.db2.gz DOYGGCGZRLEBKG-QMMMGPOBSA-N 2 0 213.281 -1.205 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000381597741 344525619 /nfs/dbraw/zinc/52/56/19/344525619.db2.gz MISLPWYFJOMSHJ-MRVPVSSYSA-N 2 0 213.281 -1.205 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000381597743 344525684 /nfs/dbraw/zinc/52/56/84/344525684.db2.gz MISLPWYFJOMSHJ-QMMMGPOBSA-N 2 0 213.281 -1.205 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CC[NH2+]1 ZINC000381626806 367440552 /nfs/dbraw/zinc/44/05/52/367440552.db2.gz LLUAODHUMHWENV-SECBINFHSA-N 2 0 212.297 -1.630 20 0 BAADRP CC[NH2+]CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000381755093 710701587 /nfs/dbraw/zinc/70/15/87/710701587.db2.gz RYZPSSPTYYMEMX-SECBINFHSA-N 2 0 214.313 -1.303 20 0 BAADRP CC[NH2+]CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000381755100 710700890 /nfs/dbraw/zinc/70/08/90/710700890.db2.gz RYZPSSPTYYMEMX-VIFPVBQESA-N 2 0 214.313 -1.303 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381819872 398274867 /nfs/dbraw/zinc/27/48/67/398274867.db2.gz KKNZHGOEJMULEX-VNXYITBISA-N 2 0 207.277 -1.214 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000382302904 711656598 /nfs/dbraw/zinc/65/65/98/711656598.db2.gz NZKWOEAORTZLQN-FXQIFTODSA-N 2 0 219.260 -1.224 20 0 BAADRP CCOC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C ZINC000389570692 356992293 /nfs/dbraw/zinc/99/22/93/356992293.db2.gz BMSNTLBSYOHILM-NXEZZACHSA-N 2 0 220.313 -1.104 20 0 BAADRP CCOC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C ZINC000389570693 356992409 /nfs/dbraw/zinc/99/24/09/356992409.db2.gz BMSNTLBSYOHILM-UWVGGRQHSA-N 2 0 220.313 -1.104 20 0 BAADRP CCOC[C@H](O)C[NH2+]C[C@H](O)CN(C)C ZINC000389570695 356992842 /nfs/dbraw/zinc/99/28/42/356992842.db2.gz BMSNTLBSYOHILM-VHSXEESVSA-N 2 0 220.313 -1.104 20 0 BAADRP CCOC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C ZINC000389570699 356992603 /nfs/dbraw/zinc/99/26/03/356992603.db2.gz BMSNTLBSYOHILM-ZJUUUORDSA-N 2 0 220.313 -1.104 20 0 BAADRP [NH3+]CCCNC(=O)CCOC1C[NH2+]C1 ZINC000389634203 357006994 /nfs/dbraw/zinc/00/69/94/357006994.db2.gz NKIDZOZCTSBINM-UHFFFAOYSA-N 2 0 201.270 -1.170 20 0 BAADRP [NH3+]CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000389643700 357007930 /nfs/dbraw/zinc/00/79/30/357007930.db2.gz RPMDPHKDEYZFQX-MRVPVSSYSA-N 2 0 201.270 -1.170 20 0 BAADRP [NH3+]CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000389643701 357008081 /nfs/dbraw/zinc/00/80/81/357008081.db2.gz RPMDPHKDEYZFQX-QMMMGPOBSA-N 2 0 201.270 -1.170 20 0 BAADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000389649945 357009841 /nfs/dbraw/zinc/00/98/41/357009841.db2.gz VKTOAKIZQGTKPC-HTQZYQBOSA-N 2 0 201.270 -1.186 20 0 BAADRP CO[C@H](C[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000389649946 357009822 /nfs/dbraw/zinc/00/98/22/357009822.db2.gz VKTOAKIZQGTKPC-JGVFFNPUSA-N 2 0 201.270 -1.186 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000389649947 357009758 /nfs/dbraw/zinc/00/97/58/357009758.db2.gz VKTOAKIZQGTKPC-SFYZADRCSA-N 2 0 201.270 -1.186 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000389649952 357009466 /nfs/dbraw/zinc/00/94/66/357009466.db2.gz VKTOAKIZQGTKPC-YUMQZZPRSA-N 2 0 201.270 -1.186 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)COC1C[NH2+]C1 ZINC000389733869 357020860 /nfs/dbraw/zinc/02/08/60/357020860.db2.gz TXIXDSMCWAGBPO-SSDOTTSWSA-N 2 0 201.270 -1.314 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)COC1C[NH2+]C1 ZINC000389733870 357021006 /nfs/dbraw/zinc/02/10/06/357021006.db2.gz TXIXDSMCWAGBPO-ZETCQYMHSA-N 2 0 201.270 -1.314 20 0 BAADRP CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000389850416 488118873 /nfs/dbraw/zinc/11/88/73/488118873.db2.gz BOUQMLKTMDBIQD-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP CCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000389850417 488118680 /nfs/dbraw/zinc/11/86/80/488118680.db2.gz BOUQMLKTMDBIQD-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP CC[NH2+]CCNC(=O)COC1C[NH2+]C1 ZINC000389951620 371183694 /nfs/dbraw/zinc/18/36/94/371183694.db2.gz SIYURYNHEMHEHH-UHFFFAOYSA-N 2 0 201.270 -1.300 20 0 BAADRP C[NH2+]CCNC(=O)COC1(C)C[NH2+]C1 ZINC000389963429 398152982 /nfs/dbraw/zinc/15/29/82/398152982.db2.gz WOABMHKLWXTIIJ-UHFFFAOYSA-N 2 0 201.270 -1.300 20 0 BAADRP COC[C@]1(CNC(=O)C[NH3+])CCC[NH2+]1 ZINC000389995337 357080490 /nfs/dbraw/zinc/08/04/90/357080490.db2.gz QFVOAJISSLTFLL-SECBINFHSA-N 2 0 201.270 -1.170 20 0 BAADRP COC[C@@]1(CNC(=O)C[NH3+])CCC[NH2+]1 ZINC000389995340 357080834 /nfs/dbraw/zinc/08/08/34/357080834.db2.gz QFVOAJISSLTFLL-VIFPVBQESA-N 2 0 201.270 -1.170 20 0 BAADRP C[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000390181356 357085406 /nfs/dbraw/zinc/08/54/06/357085406.db2.gz JWZCKTMOFRZMAH-VIFPVBQESA-N 2 0 214.313 -1.255 20 0 BAADRP CN(C[C@H](O)C[NH3+])C[C@@H](O)C[NH+]1CCCC1 ZINC000390191895 711108367 /nfs/dbraw/zinc/10/83/67/711108367.db2.gz NTQDJZGNMPABRI-GHMZBOCLSA-N 2 0 231.340 -1.306 20 0 BAADRP CN(C[C@H](O)C[NH3+])C[C@H](O)C[NH+]1CCCC1 ZINC000390191896 711109119 /nfs/dbraw/zinc/10/91/19/711109119.db2.gz NTQDJZGNMPABRI-MNOVXSKESA-N 2 0 231.340 -1.306 20 0 BAADRP CN(C[C@@H](O)C[NH3+])C[C@H](O)C[NH+]1CCCC1 ZINC000390191898 711108538 /nfs/dbraw/zinc/10/85/38/711108538.db2.gz NTQDJZGNMPABRI-QWRGUYRKSA-N 2 0 231.340 -1.306 20 0 BAADRP CN(C[C@@H](O)C[NH+]1CCCC1)C[C@@H](O)C[NH3+] ZINC000390191899 711108529 /nfs/dbraw/zinc/10/85/29/711108529.db2.gz NTQDJZGNMPABRI-WDEREUQCSA-N 2 0 231.340 -1.306 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392980214 357267111 /nfs/dbraw/zinc/26/71/11/357267111.db2.gz ZWWQKZHFWWAJHS-UHFFFAOYSA-N 2 0 240.307 -1.561 20 0 BAADRP [NH3+]CCOCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000393613414 410750841 /nfs/dbraw/zinc/75/08/41/410750841.db2.gz SKNWFKODVJIQMK-MRVPVSSYSA-N 2 0 201.270 -1.170 20 0 BAADRP [NH3+]CCOCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000393613417 410621602 /nfs/dbraw/zinc/62/16/02/410621602.db2.gz SKNWFKODVJIQMK-QMMMGPOBSA-N 2 0 201.270 -1.170 20 0 BAADRP C[NH2+]CCN(C)C(=O)COC1C[NH2+]C1 ZINC000393614523 357289959 /nfs/dbraw/zinc/28/99/59/357289959.db2.gz MVFCBVPTKYPNMD-UHFFFAOYSA-N 2 0 201.270 -1.347 20 0 BAADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000393626669 410751315 /nfs/dbraw/zinc/75/13/15/410751315.db2.gz ZVUIQQKJTYPGBY-MRVPVSSYSA-N 2 0 201.270 -1.300 20 0 BAADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+]C1 ZINC000393626671 357290778 /nfs/dbraw/zinc/29/07/78/357290778.db2.gz ZVUIQQKJTYPGBY-QMMMGPOBSA-N 2 0 201.270 -1.300 20 0 BAADRP C[C@@H]([NH3+])CCNC(=O)COC1C[NH2+]C1 ZINC000393743491 357295654 /nfs/dbraw/zinc/29/56/54/357295654.db2.gz MBJKGGIODSBZHS-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)COC1C[NH2+]C1 ZINC000393743492 357295201 /nfs/dbraw/zinc/29/52/01/357295201.db2.gz MBJKGGIODSBZHS-ZETCQYMHSA-N 2 0 201.270 -1.172 20 0 BAADRP CCOC(=O)[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000393744212 353148318 /nfs/dbraw/zinc/14/83/18/353148318.db2.gz NFLHAOJUPIFXEN-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000393744215 343922564 /nfs/dbraw/zinc/92/25/64/343922564.db2.gz NFLHAOJUPIFXEN-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000393757296 357296033 /nfs/dbraw/zinc/29/60/33/357296033.db2.gz SZVOPYQZWIPZNE-SECBINFHSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000393757298 357296418 /nfs/dbraw/zinc/29/64/18/357296418.db2.gz SZVOPYQZWIPZNE-VIFPVBQESA-N 2 0 213.281 -1.076 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[NH+](C)C ZINC000394086019 357323548 /nfs/dbraw/zinc/32/35/48/357323548.db2.gz SWEMIFJGVOJVKV-SECBINFHSA-N 2 0 214.313 -1.432 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[NH+](C)C ZINC000394086023 357323899 /nfs/dbraw/zinc/32/38/99/357323899.db2.gz SWEMIFJGVOJVKV-VIFPVBQESA-N 2 0 214.313 -1.432 20 0 BAADRP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000394385043 487670393 /nfs/dbraw/zinc/67/03/93/487670393.db2.gz IHBIOUWFZCFTKG-JTQLQIEISA-N 2 0 238.335 -1.016 20 0 BAADRP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000394385045 487670363 /nfs/dbraw/zinc/67/03/63/487670363.db2.gz IHBIOUWFZCFTKG-SNVBAGLBSA-N 2 0 238.335 -1.016 20 0 BAADRP [NH3+]CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394386452 487670369 /nfs/dbraw/zinc/67/03/69/487670369.db2.gz PKQGFAIHXYODNN-JTQLQIEISA-N 2 0 226.324 -1.159 20 0 BAADRP [NH3+]CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394386454 487670382 /nfs/dbraw/zinc/67/03/82/487670382.db2.gz PKQGFAIHXYODNN-SNVBAGLBSA-N 2 0 226.324 -1.159 20 0 BAADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394388824 487669373 /nfs/dbraw/zinc/66/93/73/487669373.db2.gz SQJNGAMCFYVAGL-NXEZZACHSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394388825 487669337 /nfs/dbraw/zinc/66/93/37/487669337.db2.gz SQJNGAMCFYVAGL-UWVGGRQHSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394388826 487669246 /nfs/dbraw/zinc/66/92/46/487669246.db2.gz SQJNGAMCFYVAGL-VHSXEESVSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394388827 487669505 /nfs/dbraw/zinc/66/95/05/487669505.db2.gz SQJNGAMCFYVAGL-ZJUUUORDSA-N 2 0 226.324 -1.160 20 0 BAADRP [NH3+]CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394389194 488064368 /nfs/dbraw/zinc/06/43/68/488064368.db2.gz UDEOFBKRFVOXLB-SECBINFHSA-N 2 0 212.297 -1.549 20 0 BAADRP [NH3+]CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394389195 487669346 /nfs/dbraw/zinc/66/93/46/487669346.db2.gz UDEOFBKRFVOXLB-VIFPVBQESA-N 2 0 212.297 -1.549 20 0 BAADRP C[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394389866 487674232 /nfs/dbraw/zinc/67/42/32/487674232.db2.gz XGMMDPDZIFCBCY-JTQLQIEISA-N 2 0 226.324 -1.288 20 0 BAADRP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394389867 487674247 /nfs/dbraw/zinc/67/42/47/487674247.db2.gz XGMMDPDZIFCBCY-SNVBAGLBSA-N 2 0 226.324 -1.288 20 0 BAADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH2+]1 ZINC000394399754 487676666 /nfs/dbraw/zinc/67/66/66/487676666.db2.gz HGNUDGNCEXBZJD-GHMZBOCLSA-N 2 0 238.335 -1.146 20 0 BAADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH2+]1 ZINC000394399760 487676799 /nfs/dbraw/zinc/67/67/99/487676799.db2.gz HGNUDGNCEXBZJD-WDEREUQCSA-N 2 0 238.335 -1.146 20 0 BAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[NH3+] ZINC000394555501 342805868 /nfs/dbraw/zinc/80/58/68/342805868.db2.gz KBQFYEXBDMQHQF-SSDOTTSWSA-N 2 0 215.253 -1.691 20 0 BAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[NH3+] ZINC000394555507 342805788 /nfs/dbraw/zinc/80/57/88/342805788.db2.gz KBQFYEXBDMQHQF-ZETCQYMHSA-N 2 0 215.253 -1.691 20 0 BAADRP C[N@H+](CCC(=O)NC(N)=O)C1CC([NH3+])C1 ZINC000395005566 355355604 /nfs/dbraw/zinc/35/56/04/355355604.db2.gz HJZBRIQEIXTRGG-UHFFFAOYSA-N 2 0 214.269 -1.007 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000399004275 411008942 /nfs/dbraw/zinc/00/89/42/411008942.db2.gz VYIODJXXDPIHCT-SECBINFHSA-N 2 0 249.318 -1.082 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000399004277 411009487 /nfs/dbraw/zinc/00/94/87/411009487.db2.gz VYIODJXXDPIHCT-VIFPVBQESA-N 2 0 249.318 -1.082 20 0 BAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000399207770 357898882 /nfs/dbraw/zinc/89/88/82/357898882.db2.gz DWOPOBIZAJMPPN-JTQLQIEISA-N 2 0 240.351 -1.042 20 0 BAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000399207771 357898498 /nfs/dbraw/zinc/89/84/98/357898498.db2.gz DWOPOBIZAJMPPN-SNVBAGLBSA-N 2 0 240.351 -1.042 20 0 BAADRP C[NH+]1CCN(CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399214217 357898289 /nfs/dbraw/zinc/89/82/89/357898289.db2.gz HIWCGICDHJHMFZ-UHFFFAOYSA-N 2 0 240.351 -1.041 20 0 BAADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC[NH3+] ZINC000419280258 192122343 /nfs/dbraw/zinc/12/23/43/192122343.db2.gz DZDJWXOFSDOWDN-UHFFFAOYSA-N 2 0 244.339 -1.091 20 0 BAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424055503 387472969 /nfs/dbraw/zinc/47/29/69/387472969.db2.gz FFQDVLNCESOPIF-BDAKNGLRSA-N 2 0 240.307 -1.776 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000424058052 387472985 /nfs/dbraw/zinc/47/29/85/387472985.db2.gz KMPPARDVVZBDSZ-DTWKUNHWSA-N 2 0 212.297 -1.645 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000424064231 192858039 /nfs/dbraw/zinc/85/80/39/192858039.db2.gz YHBYWNGYTCROPJ-VHSXEESVSA-N 2 0 226.324 -1.255 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160548 387838691 /nfs/dbraw/zinc/83/86/91/387838691.db2.gz XDHYVDHWTHQDBC-SFYZADRCSA-N 2 0 201.270 -1.314 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000424170575 387861405 /nfs/dbraw/zinc/86/14/05/387861405.db2.gz KHCGLUIPWLXQRH-GARJFASQSA-N 2 0 238.335 -1.160 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000424170578 387861882 /nfs/dbraw/zinc/86/18/82/387861882.db2.gz KHCGLUIPWLXQRH-OUAUKWLOSA-N 2 0 238.335 -1.160 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000424172985 387868446 /nfs/dbraw/zinc/86/84/46/387868446.db2.gz LSKCVGGYTRLWNG-GARJFASQSA-N 2 0 238.335 -1.160 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000424172987 387868836 /nfs/dbraw/zinc/86/88/36/387868836.db2.gz LSKCVGGYTRLWNG-OUAUKWLOSA-N 2 0 238.335 -1.160 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000424173561 387873756 /nfs/dbraw/zinc/87/37/56/387873756.db2.gz FCYROIUJCIOCDJ-NXEZZACHSA-N 2 0 242.323 -2.005 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000424173568 387873404 /nfs/dbraw/zinc/87/34/04/387873404.db2.gz FCYROIUJCIOCDJ-VHSXEESVSA-N 2 0 242.323 -2.005 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424174149 387875085 /nfs/dbraw/zinc/87/50/85/387875085.db2.gz FTFAYJSOOMLLMO-HLTSFMKQSA-N 2 0 212.297 -1.647 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424174150 387874565 /nfs/dbraw/zinc/87/45/65/387874565.db2.gz FTFAYJSOOMLLMO-YIZRAAEISA-N 2 0 212.297 -1.647 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1COCCN1 ZINC000424175635 387879009 /nfs/dbraw/zinc/87/90/09/387879009.db2.gz NTMBQTOXBZGBHS-HTQZYQBOSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@H]1COCCN1 ZINC000424175639 387879201 /nfs/dbraw/zinc/87/92/01/387879201.db2.gz NTMBQTOXBZGBHS-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1COCCN1 ZINC000424175640 387878780 /nfs/dbraw/zinc/87/87/80/387878780.db2.gz NTMBQTOXBZGBHS-SFYZADRCSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1COCCN1 ZINC000424175642 387878132 /nfs/dbraw/zinc/87/81/32/387878132.db2.gz NTMBQTOXBZGBHS-YUMQZZPRSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000424178049 387887915 /nfs/dbraw/zinc/88/79/15/387887915.db2.gz QOFNRMOSGNHYLI-HTQZYQBOSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000424178050 387888064 /nfs/dbraw/zinc/88/80/64/387888064.db2.gz QOFNRMOSGNHYLI-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424178369 387888909 /nfs/dbraw/zinc/88/89/09/387888909.db2.gz RFASSZGTQXJJJL-BIIVOSGPSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424178370 387889066 /nfs/dbraw/zinc/88/90/66/387889066.db2.gz RFASSZGTQXJJJL-BWZBUEFSSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424178371 387888897 /nfs/dbraw/zinc/88/88/97/387888897.db2.gz RFASSZGTQXJJJL-GJMOJQLCSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000424178372 387889361 /nfs/dbraw/zinc/88/93/61/387889361.db2.gz RFASSZGTQXJJJL-XLPZGREQSA-N 2 0 201.270 -1.173 20 0 BAADRP CN(C(=O)[C@H]1C[NH2+]CCO1)C1CC([NH3+])C1 ZINC000424178663 387888861 /nfs/dbraw/zinc/88/88/61/387888861.db2.gz RRYPFSLKUOJHEH-AMDVSUOASA-N 2 0 213.281 -1.077 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424187639 200881620 /nfs/dbraw/zinc/88/16/20/200881620.db2.gz ATBPLMXBPIMVLY-IVZWLZJFSA-N 2 0 241.291 -1.826 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000424191936 534636521 /nfs/dbraw/zinc/63/65/21/534636521.db2.gz OBCDNOYDLBQNSU-KXUCPTDWSA-N 2 0 225.292 -1.205 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000424209776 387930319 /nfs/dbraw/zinc/93/03/19/387930319.db2.gz ZQGPZMBZXJBOBB-DJLDLDEBSA-N 2 0 213.281 -1.220 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000424209778 387930330 /nfs/dbraw/zinc/93/03/30/387930330.db2.gz ZQGPZMBZXJBOBB-HRDYMLBCSA-N 2 0 213.281 -1.220 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000424209779 387929786 /nfs/dbraw/zinc/92/97/86/387929786.db2.gz ZQGPZMBZXJBOBB-IWSPIJDZSA-N 2 0 213.281 -1.220 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000424209781 387929988 /nfs/dbraw/zinc/92/99/88/387929988.db2.gz ZQGPZMBZXJBOBB-XHNCKOQMSA-N 2 0 213.281 -1.220 20 0 BAADRP Cn1cc([C@@H]2CN(C(=O)C3C[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000424294503 387957013 /nfs/dbraw/zinc/95/70/13/387957013.db2.gz OYJRMCCNJRQUHT-WDEREUQCSA-N 2 0 249.318 -1.107 20 0 BAADRP CC[NH+]1CCN(CC(=O)NCC[NH2+]C)CC1 ZINC000429089110 201066907 /nfs/dbraw/zinc/06/69/07/201066907.db2.gz DNQCQATWSBLIBW-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP C[NH+](C)CCn1ccc(NC(=O)C[NH3+])n1 ZINC000430873589 412167581 /nfs/dbraw/zinc/16/75/81/412167581.db2.gz VAMGHVVQMWYRNG-UHFFFAOYSA-N 2 0 211.269 -0.658 20 0 BAADRP C[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430889198 387659559 /nfs/dbraw/zinc/65/95/59/387659559.db2.gz KBBGDROCDBTRIU-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP C[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430889199 387658797 /nfs/dbraw/zinc/65/87/97/387658797.db2.gz KBBGDROCDBTRIU-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP [NH3+]C[C@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430967266 387666051 /nfs/dbraw/zinc/66/60/51/387666051.db2.gz RGXLNWWFWKIFIN-SECBINFHSA-N 2 0 240.307 -1.775 20 0 BAADRP [NH3+]C[C@@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430967267 387664851 /nfs/dbraw/zinc/66/48/51/387664851.db2.gz RGXLNWWFWKIFIN-VIFPVBQESA-N 2 0 240.307 -1.775 20 0 BAADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432514652 398237792 /nfs/dbraw/zinc/23/77/92/398237792.db2.gz NDSLDGSAEAUNID-LPEHRKFASA-N 2 0 227.308 -1.080 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000444261161 193044163 /nfs/dbraw/zinc/04/41/63/193044163.db2.gz WLJCXDCSXPSLOL-SECBINFHSA-N 2 0 231.296 -1.673 20 0 BAADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479254648 530063846 /nfs/dbraw/zinc/06/38/46/530063846.db2.gz NDSLDGSAEAUNID-IVZWLZJFSA-N 2 0 227.308 -1.080 20 0 BAADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000514600716 387007711 /nfs/dbraw/zinc/00/77/11/387007711.db2.gz SPJYKIUJECZHDG-QMMMGPOBSA-N 2 0 231.296 -1.055 20 0 BAADRP C[NH2+]CCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514602776 387009076 /nfs/dbraw/zinc/00/90/76/387009076.db2.gz WBLGQHRAHCBMSN-UHFFFAOYSA-N 2 0 242.323 -1.466 20 0 BAADRP CN(C(=O)CNC(=O)C[NH3+])C1(C[NH3+])CCC1 ZINC000514864232 360416613 /nfs/dbraw/zinc/41/66/13/360416613.db2.gz WTULBCYNYSDNCO-UHFFFAOYSA-N 2 0 228.296 -1.599 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000515839718 259498782 /nfs/dbraw/zinc/49/87/82/259498782.db2.gz PNIQYGRRJWTOLZ-NXEZZACHSA-N 2 0 245.323 -1.251 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000515839719 259499156 /nfs/dbraw/zinc/49/91/56/259499156.db2.gz PNIQYGRRJWTOLZ-UWVGGRQHSA-N 2 0 245.323 -1.251 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000515839720 387433410 /nfs/dbraw/zinc/43/34/10/387433410.db2.gz PNIQYGRRJWTOLZ-VHSXEESVSA-N 2 0 245.323 -1.251 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000515839721 387433801 /nfs/dbraw/zinc/43/38/01/387433801.db2.gz 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ZINC000516469967 387514446 /nfs/dbraw/zinc/51/44/46/387514446.db2.gz BWWUCVHMPOBZTR-XLDPMVHQSA-N 2 0 242.323 -1.436 20 0 BAADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516580553 388355814 /nfs/dbraw/zinc/35/58/14/388355814.db2.gz KWOKUOIDOHUCLJ-SRVKXCTJSA-N 2 0 245.367 -1.094 20 0 BAADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516580554 388356061 /nfs/dbraw/zinc/35/60/61/388356061.db2.gz KWOKUOIDOHUCLJ-WOPDTQHZSA-N 2 0 245.367 -1.094 20 0 BAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCC[NH3+] ZINC000516765263 388516157 /nfs/dbraw/zinc/51/61/57/388516157.db2.gz XRHGOMVZPMKSRV-UHFFFAOYSA-N 2 0 242.323 -1.385 20 0 BAADRP O=C([C@H]1CC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000516865576 388521477 /nfs/dbraw/zinc/52/14/77/388521477.db2.gz QBNFPTMSQRMGSG-GHMZBOCLSA-N 2 0 238.335 -1.146 20 0 BAADRP O=C([C@H]1CC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000516865577 388521114 /nfs/dbraw/zinc/52/11/14/388521114.db2.gz QBNFPTMSQRMGSG-WDEREUQCSA-N 2 0 238.335 -1.146 20 0 BAADRP CN(CC[NH3+])C(=O)CCOC1C[NH2+]C1 ZINC000516926139 259334365 /nfs/dbraw/zinc/33/43/65/259334365.db2.gz BFCSSBZGPWOZHW-UHFFFAOYSA-N 2 0 201.270 -1.218 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516926217 388525022 /nfs/dbraw/zinc/52/50/22/388525022.db2.gz GEEITIURLCIESO-NXEZZACHSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516926218 256806493 /nfs/dbraw/zinc/80/64/93/256806493.db2.gz GEEITIURLCIESO-UWVGGRQHSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516926219 388524330 /nfs/dbraw/zinc/52/43/30/388524330.db2.gz GEEITIURLCIESO-VHSXEESVSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516926220 388525310 /nfs/dbraw/zinc/52/53/10/388525310.db2.gz GEEITIURLCIESO-ZJUUUORDSA-N 2 0 226.324 -1.242 20 0 BAADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[NH3+] ZINC000516928107 388526675 /nfs/dbraw/zinc/52/66/75/388526675.db2.gz GHFFSHSTIVNXOJ-SECBINFHSA-N 2 0 242.323 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AYULDXPXCCFDAC-VGMNWLOBSA-N 2 0 213.281 -1.220 20 0 BAADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000519558462 386491970 /nfs/dbraw/zinc/49/19/70/386491970.db2.gz ZJPPEGPVTJTISA-JTQLQIEISA-N 2 0 244.339 -1.038 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000519612349 386509913 /nfs/dbraw/zinc/50/99/13/386509913.db2.gz UVJDYZWMOHXHNY-BDAKNGLRSA-N 2 0 242.323 -1.210 20 0 BAADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000519612427 386508175 /nfs/dbraw/zinc/50/81/75/386508175.db2.gz UVJDYZWMOHXHNY-DTWKUNHWSA-N 2 0 242.323 -1.210 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000519612432 386509375 /nfs/dbraw/zinc/50/93/75/386509375.db2.gz UVJDYZWMOHXHNY-IUCAKERBSA-N 2 0 242.323 -1.210 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000519612460 386511633 /nfs/dbraw/zinc/51/16/33/386511633.db2.gz UVJDYZWMOHXHNY-RKDXNWHRSA-N 2 0 242.323 -1.210 20 0 BAADRP CC[NH+](CC)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000519635324 386511242 /nfs/dbraw/zinc/51/12/42/386511242.db2.gz UQJNUDKIXVAKMJ-UHFFFAOYSA-N 2 0 242.323 -1.468 20 0 BAADRP [NH3+][C@H]1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000519707076 386540377 /nfs/dbraw/zinc/54/03/77/386540377.db2.gz MMUJFIZLJQDBSP-AOOOYVTPSA-N 2 0 226.324 -1.255 20 0 BAADRP C[NH2+]CCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000519764504 386551295 /nfs/dbraw/zinc/55/12/95/386551295.db2.gz CHYZOTWZDKETIS-MRVPVSSYSA-N 2 0 221.326 -1.041 20 0 BAADRP C[NH+](C)C[C@@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000520583495 386704300 /nfs/dbraw/zinc/70/43/00/386704300.db2.gz UDSHAIPKPYXRRI-CMPLNLGQSA-N 2 0 245.367 -1.046 20 0 BAADRP C[NH+](C)C[C@@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000520583496 386705324 /nfs/dbraw/zinc/70/53/24/386705324.db2.gz UDSHAIPKPYXRRI-JQWIXIFHSA-N 2 0 245.367 -1.046 20 0 BAADRP C[NH+](C)C[C@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000520583497 386704897 /nfs/dbraw/zinc/70/48/97/386704897.db2.gz UDSHAIPKPYXRRI-PWSUYJOCSA-N 2 0 245.367 -1.046 20 0 BAADRP C[NH+](C)C[C@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000520583498 386704018 /nfs/dbraw/zinc/70/40/18/386704018.db2.gz UDSHAIPKPYXRRI-ZYHUDNBSSA-N 2 0 245.367 -1.046 20 0 BAADRP C[NH2+][C@@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000520838276 388538233 /nfs/dbraw/zinc/53/82/33/388538233.db2.gz VSXSMXFZUQWHCU-QMMMGPOBSA-N 2 0 228.296 -1.858 20 0 BAADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000521623320 388618966 /nfs/dbraw/zinc/61/89/66/388618966.db2.gz SKUXBTRMRYOCGJ-HTQZYQBOSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000521623321 388619364 /nfs/dbraw/zinc/61/93/64/388619364.db2.gz SKUXBTRMRYOCGJ-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000521875907 259556196 /nfs/dbraw/zinc/55/61/96/259556196.db2.gz DLLLPGSRGVGLOA-PWSUYJOCSA-N 2 0 238.335 -1.240 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000527531886 387604627 /nfs/dbraw/zinc/60/46/27/387604627.db2.gz FTBVUBDYOIBHHB-SECBINFHSA-N 2 0 228.296 -1.410 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000527531896 387604608 /nfs/dbraw/zinc/60/46/08/387604608.db2.gz FTBVUBDYOIBHHB-VIFPVBQESA-N 2 0 228.296 -1.410 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000527535138 387622841 /nfs/dbraw/zinc/62/28/41/387622841.db2.gz JNRKOZYKQFZMLL-BDAKNGLRSA-N 2 0 228.296 -1.364 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000527535142 387622521 /nfs/dbraw/zinc/62/25/21/387622521.db2.gz JNRKOZYKQFZMLL-DTWKUNHWSA-N 2 0 228.296 -1.364 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000527535144 387629437 /nfs/dbraw/zinc/62/94/37/387629437.db2.gz JNRKOZYKQFZMLL-IUCAKERBSA-N 2 0 228.296 -1.364 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000527535146 387628872 /nfs/dbraw/zinc/62/88/72/387628872.db2.gz JNRKOZYKQFZMLL-RKDXNWHRSA-N 2 0 228.296 -1.364 20 0 BAADRP [NH3+][C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000527536373 387630547 /nfs/dbraw/zinc/63/05/47/387630547.db2.gz PZRFNKKXTQCMTG-BDAKNGLRSA-N 2 0 228.296 -1.283 20 0 BAADRP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000527536375 387631056 /nfs/dbraw/zinc/63/10/56/387631056.db2.gz PZRFNKKXTQCMTG-DTWKUNHWSA-N 2 0 228.296 -1.283 20 0 BAADRP [NH3+][C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000527536376 387630576 /nfs/dbraw/zinc/63/05/76/387630576.db2.gz PZRFNKKXTQCMTG-IUCAKERBSA-N 2 0 228.296 -1.283 20 0 BAADRP [NH3+][C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000527536378 387631992 /nfs/dbraw/zinc/63/19/92/387631992.db2.gz PZRFNKKXTQCMTG-RKDXNWHRSA-N 2 0 228.296 -1.283 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000529336989 324276142 /nfs/dbraw/zinc/27/61/42/324276142.db2.gz DRWJJWMEDKEBAV-AXTSPUMRSA-N 2 0 240.307 -1.508 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000529336995 324276274 /nfs/dbraw/zinc/27/62/74/324276274.db2.gz DRWJJWMEDKEBAV-IMSYWVGJSA-N 2 0 240.307 -1.508 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529375859 324282425 /nfs/dbraw/zinc/28/24/25/324282425.db2.gz AICPITPYDXJDCB-NXEZZACHSA-N 2 0 242.323 -1.022 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529375863 324282143 /nfs/dbraw/zinc/28/21/43/324282143.db2.gz AICPITPYDXJDCB-UWVGGRQHSA-N 2 0 242.323 -1.022 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529375865 324282558 /nfs/dbraw/zinc/28/25/58/324282558.db2.gz AICPITPYDXJDCB-VHSXEESVSA-N 2 0 242.323 -1.022 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529375868 324282400 /nfs/dbraw/zinc/28/24/00/324282400.db2.gz AICPITPYDXJDCB-ZJUUUORDSA-N 2 0 242.323 -1.022 20 0 BAADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529390870 324285005 /nfs/dbraw/zinc/28/50/05/324285005.db2.gz WVMZXVOQFNYTJL-NXEZZACHSA-N 2 0 242.323 -1.022 20 0 BAADRP C[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529390871 324285459 /nfs/dbraw/zinc/28/54/59/324285459.db2.gz WVMZXVOQFNYTJL-UWVGGRQHSA-N 2 0 242.323 -1.022 20 0 BAADRP C[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529391009 324286534 /nfs/dbraw/zinc/28/65/34/324286534.db2.gz WVMZXVOQFNYTJL-VHSXEESVSA-N 2 0 242.323 -1.022 20 0 BAADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000529391010 324286188 /nfs/dbraw/zinc/28/61/88/324286188.db2.gz WVMZXVOQFNYTJL-ZJUUUORDSA-N 2 0 242.323 -1.022 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000529391113 324286471 /nfs/dbraw/zinc/28/64/71/324286471.db2.gz XWLCXVUSHXZPHM-JTQLQIEISA-N 2 0 242.323 -1.020 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000529391115 324286168 /nfs/dbraw/zinc/28/61/68/324286168.db2.gz XWLCXVUSHXZPHM-SNVBAGLBSA-N 2 0 242.323 -1.020 20 0 BAADRP C[N@H+](C[C@@H](O)CN1C[C@@H](O)C[C@H]1CO)C1CC1 ZINC000558460145 384021939 /nfs/dbraw/zinc/02/19/39/384021939.db2.gz MYSWOEWHJVIGST-SDDRHHMPSA-N 2 0 244.335 -1.131 20 0 BAADRP O=C(C[NH2+]C1CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000562973652 323077656 /nfs/dbraw/zinc/07/76/56/323077656.db2.gz RCNIOEJPTJCSCT-UHFFFAOYSA-N 2 0 240.307 -1.714 20 0 BAADRP C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563088508 323091291 /nfs/dbraw/zinc/09/12/91/323091291.db2.gz IZYCCJDQYKNRAG-NXEZZACHSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563088509 323091270 /nfs/dbraw/zinc/09/12/70/323091270.db2.gz IZYCCJDQYKNRAG-ZJUUUORDSA-N 2 0 226.324 -1.160 20 0 BAADRP CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000563101408 323092385 /nfs/dbraw/zinc/09/23/85/323092385.db2.gz CIJIWOUBSDMXRL-HLTSFMKQSA-N 3 0 212.297 -1.565 20 0 BAADRP CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000563101412 323092455 /nfs/dbraw/zinc/09/24/55/323092455.db2.gz CIJIWOUBSDMXRL-YIZRAAEISA-N 3 0 212.297 -1.565 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563101548 323092489 /nfs/dbraw/zinc/09/24/89/323092489.db2.gz KMFAVWMFNMWCAV-NXEZZACHSA-N 3 0 228.340 -1.057 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563101549 323092334 /nfs/dbraw/zinc/09/23/34/323092334.db2.gz KMFAVWMFNMWCAV-UWVGGRQHSA-N 3 0 228.340 -1.057 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563101550 323092429 /nfs/dbraw/zinc/09/24/29/323092429.db2.gz KMFAVWMFNMWCAV-VHSXEESVSA-N 3 0 228.340 -1.057 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563101551 323092338 /nfs/dbraw/zinc/09/23/38/323092338.db2.gz KMFAVWMFNMWCAV-ZJUUUORDSA-N 3 0 228.340 -1.057 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000563105786 323092697 /nfs/dbraw/zinc/09/26/97/323092697.db2.gz ZPRYDYDTKYVTKE-ZETCQYMHSA-N 2 0 217.269 -1.398 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000563109126 323092977 /nfs/dbraw/zinc/09/29/77/323092977.db2.gz YBLYHUFBYLUGBY-BQBZGAKWSA-N 2 0 217.269 -1.412 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000563109127 323093092 /nfs/dbraw/zinc/09/30/92/323093092.db2.gz YBLYHUFBYLUGBY-RQJHMYQMSA-N 2 0 217.269 -1.412 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000563109717 323092893 /nfs/dbraw/zinc/09/28/93/323092893.db2.gz JIWROLGFSZYFQA-JGVFFNPUSA-N 2 0 229.280 -1.270 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000563109718 323092887 /nfs/dbraw/zinc/09/28/87/323092887.db2.gz JIWROLGFSZYFQA-YUMQZZPRSA-N 2 0 229.280 -1.270 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)COC2C[NH2+]C2)CCO1 ZINC000563109957 323092859 /nfs/dbraw/zinc/09/28/59/323092859.db2.gz SHXZOTUDXABWJW-MRVPVSSYSA-N 2 0 229.280 -1.839 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)COC2C[NH2+]C2)CCO1 ZINC000563109958 323092883 /nfs/dbraw/zinc/09/28/83/323092883.db2.gz SHXZOTUDXABWJW-QMMMGPOBSA-N 2 0 229.280 -1.839 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000563115806 323093403 /nfs/dbraw/zinc/09/34/03/323093403.db2.gz OJGYSTPCNVMMSZ-SECBINFHSA-N 2 0 226.324 -1.112 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000563115807 323093491 /nfs/dbraw/zinc/09/34/91/323093491.db2.gz OJGYSTPCNVMMSZ-VIFPVBQESA-N 2 0 226.324 -1.112 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000563117212 323093242 /nfs/dbraw/zinc/09/32/42/323093242.db2.gz WLVRSKHWJHENMA-UWVGGRQHSA-N 2 0 226.324 -1.384 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000563117213 323093307 /nfs/dbraw/zinc/09/33/07/323093307.db2.gz WLVRSKHWJHENMA-VHSXEESVSA-N 2 0 226.324 -1.384 20 0 BAADRP C[C@@H]([NH3+])CN1CC[NH2+][C@H](C(=O)N(C)C)C1 ZINC000563154467 323095833 /nfs/dbraw/zinc/09/58/33/323095833.db2.gz ZJVNJUVNKGFDRR-BDAKNGLRSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@H]([NH3+])CN1CC[NH2+][C@@H](C(=O)N(C)C)C1 ZINC000563154468 323095787 /nfs/dbraw/zinc/09/57/87/323095787.db2.gz ZJVNJUVNKGFDRR-DTWKUNHWSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@H]([NH3+])CN1CC[NH2+][C@H](C(=O)N(C)C)C1 ZINC000563154469 323095671 /nfs/dbraw/zinc/09/56/71/323095671.db2.gz ZJVNJUVNKGFDRR-IUCAKERBSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@@H]([NH3+])CN1CC[NH2+][C@@H](C(=O)N(C)C)C1 ZINC000563154470 323095745 /nfs/dbraw/zinc/09/57/45/323095745.db2.gz ZJVNJUVNKGFDRR-RKDXNWHRSA-N 2 0 214.313 -1.304 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[NH3+] ZINC000563158553 323096806 /nfs/dbraw/zinc/09/68/06/323096806.db2.gz DRHAKPPIWSYUOZ-APPZFPTMSA-N 2 0 230.312 -1.451 20 0 BAADRP [NH3+]CC[C@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000563159924 323097326 /nfs/dbraw/zinc/09/73/26/323097326.db2.gz LISAPMBKPPTCHX-SECBINFHSA-N 2 0 242.323 -1.209 20 0 BAADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC000563159925 323097430 /nfs/dbraw/zinc/09/74/30/323097430.db2.gz LISAPMBKPPTCHX-VIFPVBQESA-N 2 0 242.323 -1.209 20 0 BAADRP [NH3+]CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563432100 323125137 /nfs/dbraw/zinc/12/51/37/323125137.db2.gz KCDLHEAIGBWFDF-BDAKNGLRSA-N 3 0 212.297 -1.421 20 0 BAADRP [NH3+]CCCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563432101 323125218 /nfs/dbraw/zinc/12/52/18/323125218.db2.gz KCDLHEAIGBWFDF-DTWKUNHWSA-N 3 0 212.297 -1.421 20 0 BAADRP [NH3+]CCCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563432102 323125176 /nfs/dbraw/zinc/12/51/76/323125176.db2.gz KCDLHEAIGBWFDF-IUCAKERBSA-N 3 0 212.297 -1.421 20 0 BAADRP [NH3+]CCCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563432103 323125204 /nfs/dbraw/zinc/12/52/04/323125204.db2.gz KCDLHEAIGBWFDF-RKDXNWHRSA-N 3 0 212.297 -1.421 20 0 BAADRP CN(C)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563441728 323126625 /nfs/dbraw/zinc/12/66/25/323126625.db2.gz MUXGYKCRKAHMRL-BDAKNGLRSA-N 2 0 240.307 -1.682 20 0 BAADRP CN(C)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563441734 323126695 /nfs/dbraw/zinc/12/66/95/323126695.db2.gz MUXGYKCRKAHMRL-DTWKUNHWSA-N 2 0 240.307 -1.682 20 0 BAADRP CN(C)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563441735 323126738 /nfs/dbraw/zinc/12/67/38/323126738.db2.gz MUXGYKCRKAHMRL-IUCAKERBSA-N 2 0 240.307 -1.682 20 0 BAADRP CN(C)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563441736 323126679 /nfs/dbraw/zinc/12/66/79/323126679.db2.gz MUXGYKCRKAHMRL-RKDXNWHRSA-N 2 0 240.307 -1.682 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563530012 323129201 /nfs/dbraw/zinc/12/92/01/323129201.db2.gz JSVCLLZKCZYGHS-JGVFFNPUSA-N 2 0 226.280 -2.118 20 0 BAADRP C[C@@H]([NH3+])CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563534754 323129496 /nfs/dbraw/zinc/12/94/96/323129496.db2.gz RUYNLHILINQZMH-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP C[C@H]([NH3+])CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563534766 323129531 /nfs/dbraw/zinc/12/95/31/323129531.db2.gz RUYNLHILINQZMH-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)COC1C[NH2+]C1 ZINC000563535271 323129402 /nfs/dbraw/zinc/12/94/02/323129402.db2.gz RZHHNVZNRCXLMM-SSDOTTSWSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)COC1C[NH2+]C1 ZINC000563535272 323129471 /nfs/dbraw/zinc/12/94/71/323129471.db2.gz RZHHNVZNRCXLMM-ZETCQYMHSA-N 2 0 201.270 -1.172 20 0 BAADRP CCC(CC)(C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000563535650 323128913 /nfs/dbraw/zinc/12/89/13/323128913.db2.gz MURGKIDNHROQHW-UHFFFAOYSA-N 2 0 230.312 -1.305 20 0 BAADRP CC(C)(C[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563617080 323131734 /nfs/dbraw/zinc/13/17/34/323131734.db2.gz GPORLUHJMBWTBP-UHFFFAOYSA-N 2 0 242.323 -1.481 20 0 BAADRP C[C@@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563809544 323178421 /nfs/dbraw/zinc/17/84/21/323178421.db2.gz FPJKUSSWWIBALF-ZCFIWIBFSA-N 2 0 239.283 -1.500 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000564329769 325391181 /nfs/dbraw/zinc/39/11/81/325391181.db2.gz VPJMRYWRKKWTPR-AXTSPUMRSA-N 2 0 227.308 -1.082 20 0 BAADRP C[C@H](C[NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000564564474 388878909 /nfs/dbraw/zinc/87/89/09/388878909.db2.gz QMGBHCVQLHMNMQ-SECBINFHSA-N 2 0 242.323 -1.529 20 0 BAADRP C[C@@H](C[NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000564564480 325795866 /nfs/dbraw/zinc/79/58/66/325795866.db2.gz QMGBHCVQLHMNMQ-VIFPVBQESA-N 2 0 242.323 -1.529 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000564651339 388882300 /nfs/dbraw/zinc/88/23/00/388882300.db2.gz SJDXQNJEYQEYKJ-FOGDFJRCSA-N 2 0 238.335 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000564651343 325801006 /nfs/dbraw/zinc/80/10/06/325801006.db2.gz SJDXQNJEYQEYKJ-SCVCMEIPSA-N 2 0 238.335 -1.242 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000564727002 323010283 /nfs/dbraw/zinc/01/02/83/323010283.db2.gz SGRJBMLRWSLPEE-ZETCQYMHSA-N 2 0 217.269 -1.445 20 0 BAADRP CCNC(=O)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000564729674 398039214 /nfs/dbraw/zinc/03/92/14/398039214.db2.gz RSICHTSOUFLCJP-SECBINFHSA-N 2 0 242.323 -1.386 20 0 BAADRP CCNC(=O)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000564729681 398039682 /nfs/dbraw/zinc/03/96/82/398039682.db2.gz RSICHTSOUFLCJP-VIFPVBQESA-N 2 0 242.323 -1.386 20 0 BAADRP CC1(C(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]C1 ZINC000564835866 384902627 /nfs/dbraw/zinc/90/26/27/384902627.db2.gz GAPCRZAJLWIWTM-UHFFFAOYSA-N 2 0 240.307 -1.856 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000564931841 322963437 /nfs/dbraw/zinc/96/34/37/322963437.db2.gz VIIYJZGOZGBVPX-ZETCQYMHSA-N 2 0 229.280 -1.126 20 0 BAADRP C[NH+](C)CCOCCNC(=O)COC1C[NH2+]C1 ZINC000564940775 388899643 /nfs/dbraw/zinc/89/96/43/388899643.db2.gz YLVIEKIMIDYMOY-UHFFFAOYSA-N 2 0 245.323 -1.331 20 0 BAADRP C[C@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564943649 384940337 /nfs/dbraw/zinc/94/03/37/384940337.db2.gz FPJKUSSWWIBALF-LURJTMIESA-N 2 0 239.283 -1.500 20 0 BAADRP C[NH2+]CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564943690 388899964 /nfs/dbraw/zinc/89/99/64/388899964.db2.gz IYLGZESWAUYSND-UHFFFAOYSA-N 2 0 239.283 -1.628 20 0 BAADRP [NH3+]CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564943727 384942457 /nfs/dbraw/zinc/94/24/57/384942457.db2.gz LHQLAIVOLVMKAM-UHFFFAOYSA-N 2 0 239.283 -1.498 20 0 BAADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CNC(=O)C[NH3+] ZINC000564943892 322976301 /nfs/dbraw/zinc/97/63/01/322976301.db2.gz BKFSNUXJXYVOQN-SECBINFHSA-N 2 0 244.339 -1.107 20 0 BAADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNC(=O)C[NH3+] ZINC000564943896 322976324 /nfs/dbraw/zinc/97/63/24/322976324.db2.gz BKFSNUXJXYVOQN-VIFPVBQESA-N 2 0 244.339 -1.107 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564945067 344480796 /nfs/dbraw/zinc/48/07/96/344480796.db2.gz MAERDNAYVPTRMH-BDAKNGLRSA-N 2 0 242.323 -1.340 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564945068 344480841 /nfs/dbraw/zinc/48/08/41/344480841.db2.gz MAERDNAYVPTRMH-DTWKUNHWSA-N 2 0 242.323 -1.340 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564945069 344480669 /nfs/dbraw/zinc/48/06/69/344480669.db2.gz MAERDNAYVPTRMH-IUCAKERBSA-N 2 0 242.323 -1.340 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564945070 344480710 /nfs/dbraw/zinc/48/07/10/344480710.db2.gz MAERDNAYVPTRMH-RKDXNWHRSA-N 2 0 242.323 -1.340 20 0 BAADRP C[NH2+]CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564946960 325831377 /nfs/dbraw/zinc/83/13/77/325831377.db2.gz BEGSPKRNHZHPMK-SECBINFHSA-N 2 0 242.323 -1.420 20 0 BAADRP C[NH2+]CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564946961 388900524 /nfs/dbraw/zinc/90/05/24/388900524.db2.gz BEGSPKRNHZHPMK-VIFPVBQESA-N 2 0 242.323 -1.420 20 0 BAADRP [NH3+]C1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC1 ZINC000564947505 388899749 /nfs/dbraw/zinc/89/97/49/388899749.db2.gz FYFFOUJVJIYNSU-UHFFFAOYSA-N 2 0 240.307 -1.584 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564947551 384973315 /nfs/dbraw/zinc/97/33/15/384973315.db2.gz LPPFNAIVGZQIRX-DTWKUNHWSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564947552 384974035 /nfs/dbraw/zinc/97/40/35/384974035.db2.gz LPPFNAIVGZQIRX-IUCAKERBSA-N 2 0 242.323 -1.292 20 0 BAADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000564950666 388901177 /nfs/dbraw/zinc/90/11/77/388901177.db2.gz BWFGHWAFDFGGRZ-QMMMGPOBSA-N 2 0 231.296 -1.055 20 0 BAADRP CNC(=O)N[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000564989781 384340455 /nfs/dbraw/zinc/34/04/55/384340455.db2.gz ZZWOAMCRFIPYQD-SECBINFHSA-N 2 0 230.312 -1.035 20 0 BAADRP CNC(=O)N[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000564989782 384341889 /nfs/dbraw/zinc/34/18/89/384341889.db2.gz ZZWOAMCRFIPYQD-VIFPVBQESA-N 2 0 230.312 -1.035 20 0 BAADRP COCCN(CC[NH+](C)C)C(=O)[C@H](C[NH3+])OC ZINC000564993909 325842970 /nfs/dbraw/zinc/84/29/70/325842970.db2.gz CBAIHQDVJNBMNQ-JTQLQIEISA-N 2 0 247.339 -1.003 20 0 BAADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](C[NH3+])OC ZINC000564993910 325842937 /nfs/dbraw/zinc/84/29/37/325842937.db2.gz CBAIHQDVJNBMNQ-SNVBAGLBSA-N 2 0 247.339 -1.003 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000564994862 388906711 /nfs/dbraw/zinc/90/67/11/388906711.db2.gz UOBVJPOJVPYTDO-JLIMGVALSA-N 2 0 225.292 -1.077 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000564994871 388906353 /nfs/dbraw/zinc/90/63/53/388906353.db2.gz UOBVJPOJVPYTDO-JXUBOQSCSA-N 2 0 225.292 -1.077 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000564994872 388906290 /nfs/dbraw/zinc/90/62/90/388906290.db2.gz UOBVJPOJVPYTDO-QCLAVDOMSA-N 2 0 225.292 -1.077 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000564994873 325843126 /nfs/dbraw/zinc/84/31/26/325843126.db2.gz UOBVJPOJVPYTDO-SGIHWFKDSA-N 2 0 225.292 -1.077 20 0 BAADRP CC(C)([NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565232911 325882820 /nfs/dbraw/zinc/88/28/20/325882820.db2.gz GXHUHDKOVFSPJK-BDAKNGLRSA-N 2 0 226.324 -1.033 20 0 BAADRP CC(C)([NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565232912 325882816 /nfs/dbraw/zinc/88/28/16/325882816.db2.gz GXHUHDKOVFSPJK-DTWKUNHWSA-N 2 0 226.324 -1.033 20 0 BAADRP CC(C)([NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565232913 388930076 /nfs/dbraw/zinc/93/00/76/388930076.db2.gz GXHUHDKOVFSPJK-IUCAKERBSA-N 2 0 226.324 -1.033 20 0 BAADRP CC(C)([NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565232914 388929130 /nfs/dbraw/zinc/92/91/30/388929130.db2.gz GXHUHDKOVFSPJK-RKDXNWHRSA-N 2 0 226.324 -1.033 20 0 BAADRP CN(CCC[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000565250766 325887648 /nfs/dbraw/zinc/88/76/48/325887648.db2.gz PFENDSBTVFDLJF-UHFFFAOYSA-N 2 0 243.355 -1.118 20 0 BAADRP CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000565253767 388932861 /nfs/dbraw/zinc/93/28/61/388932861.db2.gz LOLDRQRFUGVYEU-UWVGGRQHSA-N 2 0 241.339 -1.367 20 0 BAADRP CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000565253770 388933906 /nfs/dbraw/zinc/93/39/06/388933906.db2.gz LOLDRQRFUGVYEU-VHSXEESVSA-N 2 0 241.339 -1.367 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000565303140 388936648 /nfs/dbraw/zinc/93/66/48/388936648.db2.gz SXIKWNSPHFTYBA-SFYZADRCSA-N 2 0 229.280 -1.255 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000565303144 325893656 /nfs/dbraw/zinc/89/36/56/325893656.db2.gz SXIKWNSPHFTYBA-YUMQZZPRSA-N 2 0 229.280 -1.255 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000566104361 384451901 /nfs/dbraw/zinc/45/19/01/384451901.db2.gz HVWUWCJLKQJFBP-BDAKNGLRSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000566104367 384452080 /nfs/dbraw/zinc/45/20/80/384452080.db2.gz HVWUWCJLKQJFBP-IUCAKERBSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CC[NH2+]1 ZINC000566195565 326010570 /nfs/dbraw/zinc/01/05/70/326010570.db2.gz ACXOFRHVAMUTOG-SNVBAGLBSA-N 2 0 226.324 -1.240 20 0 BAADRP COCC[NH2+]CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566200140 326012057 /nfs/dbraw/zinc/01/20/57/326012057.db2.gz BIWKAEHJYYSULD-JTQLQIEISA-N 2 0 244.339 -1.676 20 0 BAADRP COCC[NH2+]CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566200141 326011594 /nfs/dbraw/zinc/01/15/94/326011594.db2.gz BIWKAEHJYYSULD-SNVBAGLBSA-N 2 0 244.339 -1.676 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566200267 326012021 /nfs/dbraw/zinc/01/20/21/326012021.db2.gz JBVWTKPEKJNYGH-BDAKNGLRSA-N 2 0 230.312 -1.939 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566200274 326011672 /nfs/dbraw/zinc/01/16/72/326011672.db2.gz JBVWTKPEKJNYGH-DTWKUNHWSA-N 2 0 230.312 -1.939 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566200276 326012014 /nfs/dbraw/zinc/01/20/14/326012014.db2.gz JBVWTKPEKJNYGH-IUCAKERBSA-N 2 0 230.312 -1.939 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566200277 326011729 /nfs/dbraw/zinc/01/17/29/326011729.db2.gz JBVWTKPEKJNYGH-RKDXNWHRSA-N 2 0 230.312 -1.939 20 0 BAADRP COCC[NH2+]CC(=O)NCCN1CC[NH2+]CC1 ZINC000566204178 326012283 /nfs/dbraw/zinc/01/22/83/326012283.db2.gz KZUKOEICPQRAOI-UHFFFAOYSA-N 2 0 244.339 -1.756 20 0 BAADRP C[NH2+]CCN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566206436 326013198 /nfs/dbraw/zinc/01/31/98/326013198.db2.gz ORONPXWHGPVKFM-SECBINFHSA-N 2 0 242.323 -1.468 20 0 BAADRP C[NH2+]CCN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566206437 326013240 /nfs/dbraw/zinc/01/32/40/326013240.db2.gz ORONPXWHGPVKFM-VIFPVBQESA-N 2 0 242.323 -1.468 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000566211382 326014529 /nfs/dbraw/zinc/01/45/29/326014529.db2.gz FPYWBFVXFDWIFT-IVZWLZJFSA-N 2 0 244.314 -1.294 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000566211383 326014149 /nfs/dbraw/zinc/01/41/49/326014149.db2.gz FPYWBFVXFDWIFT-LPEHRKFASA-N 2 0 244.314 -1.294 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000566211593 326014280 /nfs/dbraw/zinc/01/42/80/326014280.db2.gz KTLLSBUOGQDXAH-SECBINFHSA-N 2 0 242.323 -1.305 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000566211595 326014511 /nfs/dbraw/zinc/01/45/11/326014511.db2.gz KTLLSBUOGQDXAH-VIFPVBQESA-N 2 0 242.323 -1.305 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC(C)(C)[NH3+] ZINC000566244514 326022892 /nfs/dbraw/zinc/02/28/92/326022892.db2.gz HGGHNWHKMPDGNW-VIFPVBQESA-N 2 0 244.339 -1.061 20 0 BAADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000566249592 326023934 /nfs/dbraw/zinc/02/39/34/326023934.db2.gz YNQVPJRDHNHWMS-HRDYMLBCSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000566249593 326024078 /nfs/dbraw/zinc/02/40/78/326024078.db2.gz YNQVPJRDHNHWMS-YIZRAAEISA-N 2 0 213.281 -1.172 20 0 BAADRP COCCN(CC[NH+](C)C)C(=O)C[NH3+] ZINC000566250501 326014971 /nfs/dbraw/zinc/01/49/71/326014971.db2.gz AUAHKAZFXVMNIO-UHFFFAOYSA-N 2 0 203.286 -1.018 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000566251942 326024826 /nfs/dbraw/zinc/02/48/26/326024826.db2.gz ZPWOTMJEYSBSSM-MRTMQBJTSA-N 2 0 244.339 -1.062 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000566251951 326024831 /nfs/dbraw/zinc/02/48/31/326024831.db2.gz ZPWOTMJEYSBSSM-NRPADANISA-N 2 0 244.339 -1.062 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000566251953 326024862 /nfs/dbraw/zinc/02/48/62/326024862.db2.gz ZPWOTMJEYSBSSM-WEDXCCLWSA-N 2 0 244.339 -1.062 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000566251955 326024637 /nfs/dbraw/zinc/02/46/37/326024637.db2.gz ZPWOTMJEYSBSSM-XKSSXDPKSA-N 2 0 244.339 -1.062 20 0 BAADRP C[NH+](C)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566494603 326057845 /nfs/dbraw/zinc/05/78/45/326057845.db2.gz AXRONIJWCFALLA-BDAKNGLRSA-N 2 0 240.307 -1.682 20 0 BAADRP C[NH+](C)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566494604 326058164 /nfs/dbraw/zinc/05/81/64/326058164.db2.gz AXRONIJWCFALLA-DTWKUNHWSA-N 2 0 240.307 -1.682 20 0 BAADRP C[NH+](C)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566494605 326057886 /nfs/dbraw/zinc/05/78/86/326057886.db2.gz AXRONIJWCFALLA-IUCAKERBSA-N 2 0 240.307 -1.682 20 0 BAADRP C[NH+](C)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566494606 326057896 /nfs/dbraw/zinc/05/78/96/326057896.db2.gz AXRONIJWCFALLA-RKDXNWHRSA-N 2 0 240.307 -1.682 20 0 BAADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000566560269 326064223 /nfs/dbraw/zinc/06/42/23/326064223.db2.gz LZVJKYRDGXUWCV-SFYZADRCSA-N 2 0 231.296 -1.009 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566560655 326064401 /nfs/dbraw/zinc/06/44/01/326064401.db2.gz FUDGJPOUNUWCDI-BDAKNGLRSA-N 2 0 242.323 -1.434 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566560656 326064334 /nfs/dbraw/zinc/06/43/34/326064334.db2.gz FUDGJPOUNUWCDI-DTWKUNHWSA-N 2 0 242.323 -1.434 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566560657 326062098 /nfs/dbraw/zinc/06/20/98/326062098.db2.gz FUDGJPOUNUWCDI-IUCAKERBSA-N 2 0 242.323 -1.434 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566560658 326062196 /nfs/dbraw/zinc/06/21/96/326062196.db2.gz FUDGJPOUNUWCDI-RKDXNWHRSA-N 2 0 242.323 -1.434 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CC[NH3+] ZINC000566562738 345193335 /nfs/dbraw/zinc/19/33/35/345193335.db2.gz XTQGOKXWWURVIA-SCZZXKLOSA-N 2 0 244.339 -1.061 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CC[NH3+] ZINC000566562740 345193866 /nfs/dbraw/zinc/19/38/66/345193866.db2.gz XTQGOKXWWURVIA-WPRPVWTQSA-N 2 0 244.339 -1.061 20 0 BAADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566619932 326069023 /nfs/dbraw/zinc/06/90/23/326069023.db2.gz WAKYDBZBBVEWCI-SCZZXKLOSA-N 2 0 225.292 -1.205 20 0 BAADRP C[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566622210 326068859 /nfs/dbraw/zinc/06/88/59/326068859.db2.gz IZYCCJDQYKNRAG-UWVGGRQHSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566622214 326068760 /nfs/dbraw/zinc/06/87/60/326068760.db2.gz IZYCCJDQYKNRAG-VHSXEESVSA-N 2 0 226.324 -1.160 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH3+])C1 ZINC000566678492 326073535 /nfs/dbraw/zinc/07/35/35/326073535.db2.gz DTZGNGAKKUVMOT-WPRPVWTQSA-N 2 0 242.323 -1.355 20 0 BAADRP C[NH2+]CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566736590 326078397 /nfs/dbraw/zinc/07/83/97/326078397.db2.gz GMOZNSKZNHTRKN-JTQLQIEISA-N 2 0 226.324 -1.288 20 0 BAADRP C[NH2+]CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566736594 326078657 /nfs/dbraw/zinc/07/86/57/326078657.db2.gz GMOZNSKZNHTRKN-SNVBAGLBSA-N 2 0 226.324 -1.288 20 0 BAADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000566913598 326093473 /nfs/dbraw/zinc/09/34/73/326093473.db2.gz GPQZWIVVHGYTRM-ZETCQYMHSA-N 2 0 217.269 -1.445 20 0 BAADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000566914715 323025500 /nfs/dbraw/zinc/02/55/00/323025500.db2.gz HLBTYPZRTVXGLV-AXTSPUMRSA-N 2 0 227.308 -1.177 20 0 BAADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000566914722 323025569 /nfs/dbraw/zinc/02/55/69/323025569.db2.gz HLBTYPZRTVXGLV-QEYWKRMJSA-N 2 0 227.308 -1.177 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000566914723 323025474 /nfs/dbraw/zinc/02/54/74/323025474.db2.gz HLBTYPZRTVXGLV-RGOKHQFPSA-N 2 0 227.308 -1.177 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000566914725 323025515 /nfs/dbraw/zinc/02/55/15/323025515.db2.gz HLBTYPZRTVXGLV-UTINFBMNSA-N 2 0 227.308 -1.177 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000567233580 326148042 /nfs/dbraw/zinc/14/80/42/326148042.db2.gz XQHZIESPYHAVIL-SFYZADRCSA-N 2 0 229.280 -1.174 20 0 BAADRP C[NH2+]CCCN1CC[NH2+][C@H](C(=O)N(C)C)C1 ZINC000567235618 326147992 /nfs/dbraw/zinc/14/79/92/326147992.db2.gz RVHRPOVWJAKGTH-JTQLQIEISA-N 2 0 228.340 -1.042 20 0 BAADRP C[NH2+]CCCN1CC[NH2+][C@@H](C(=O)N(C)C)C1 ZINC000567235619 326148006 /nfs/dbraw/zinc/14/80/06/326148006.db2.gz RVHRPOVWJAKGTH-SNVBAGLBSA-N 2 0 228.340 -1.042 20 0 BAADRP C[C@H]1[NH2+]CCN(C(=O)CNC(=O)C[NH3+])[C@@H]1C ZINC000567472632 326199799 /nfs/dbraw/zinc/19/97/99/326199799.db2.gz KMTGULSNVYLYJP-HTQZYQBOSA-N 2 0 228.296 -1.730 20 0 BAADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CNC(=O)C[NH3+] ZINC000567472633 326199607 /nfs/dbraw/zinc/19/96/07/326199607.db2.gz KMTGULSNVYLYJP-JGVFFNPUSA-N 2 0 228.296 -1.730 20 0 BAADRP C[C@H]1[NH2+]CCN(C(=O)CNC(=O)C[NH3+])[C@H]1C ZINC000567472634 326199669 /nfs/dbraw/zinc/19/96/69/326199669.db2.gz KMTGULSNVYLYJP-SFYZADRCSA-N 2 0 228.296 -1.730 20 0 BAADRP C[C@@H]1[NH2+]CCN(C(=O)CNC(=O)C[NH3+])[C@H]1C ZINC000567472635 326199861 /nfs/dbraw/zinc/19/98/61/326199861.db2.gz KMTGULSNVYLYJP-YUMQZZPRSA-N 2 0 228.296 -1.730 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000567500207 326205610 /nfs/dbraw/zinc/20/56/10/326205610.db2.gz PEFADHOEHNPMCM-QMMMGPOBSA-N 2 0 231.296 -1.055 20 0 BAADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567671215 326242267 /nfs/dbraw/zinc/24/22/67/326242267.db2.gz JQJJCDKULBEVGG-BDAKNGLRSA-N 2 0 214.313 -1.399 20 0 BAADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567671216 326242094 /nfs/dbraw/zinc/24/20/94/326242094.db2.gz JQJJCDKULBEVGG-DTWKUNHWSA-N 2 0 214.313 -1.399 20 0 BAADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567671217 326241503 /nfs/dbraw/zinc/24/15/03/326241503.db2.gz JQJJCDKULBEVGG-IUCAKERBSA-N 2 0 214.313 -1.399 20 0 BAADRP C[C@H](C[NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567671218 326241479 /nfs/dbraw/zinc/24/14/79/326241479.db2.gz JQJJCDKULBEVGG-RKDXNWHRSA-N 2 0 214.313 -1.399 20 0 BAADRP C[N@H+](CCNC(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000567716504 326250213 /nfs/dbraw/zinc/25/02/13/326250213.db2.gz SWJHVSUOXBJEOC-UHFFFAOYSA-N 2 0 240.307 -1.715 20 0 BAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000567732191 326252855 /nfs/dbraw/zinc/25/28/55/326252855.db2.gz XVDZATWFMVDPTH-SFYZADRCSA-N 2 0 231.296 -1.152 20 0 BAADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000567732192 326252819 /nfs/dbraw/zinc/25/28/19/326252819.db2.gz XVDZATWFMVDPTH-YUMQZZPRSA-N 2 0 231.296 -1.152 20 0 BAADRP C[NH2+]CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000567834786 326266611 /nfs/dbraw/zinc/26/66/11/326266611.db2.gz CLTMOHYPTLLJHV-JTQLQIEISA-N 2 0 215.297 -1.052 20 0 BAADRP C[NH2+]CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000567834787 326266590 /nfs/dbraw/zinc/26/65/90/326266590.db2.gz CLTMOHYPTLLJHV-SNVBAGLBSA-N 2 0 215.297 -1.052 20 0 BAADRP COCC[NH2+]CCNC(=O)COC1C[NH2+]C1 ZINC000567838788 323091464 /nfs/dbraw/zinc/09/14/64/323091464.db2.gz APADWOVREOOVMI-UHFFFAOYSA-N 2 0 231.296 -1.673 20 0 BAADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H]1[NH3+] ZINC000567845181 323091975 /nfs/dbraw/zinc/09/19/75/323091975.db2.gz NJDFUQMMKQLDKQ-APPZFPTMSA-N 2 0 213.281 -1.220 20 0 BAADRP C[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H]1[NH3+] ZINC000567845182 323092005 /nfs/dbraw/zinc/09/20/05/323092005.db2.gz NJDFUQMMKQLDKQ-CBAPKCEASA-N 2 0 213.281 -1.220 20 0 BAADRP C[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1[NH3+] ZINC000567845183 323091880 /nfs/dbraw/zinc/09/18/80/323091880.db2.gz NJDFUQMMKQLDKQ-IONNQARKSA-N 2 0 213.281 -1.220 20 0 BAADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1[NH3+] ZINC000567845184 323091971 /nfs/dbraw/zinc/09/19/71/323091971.db2.gz NJDFUQMMKQLDKQ-VXNVDRBHSA-N 2 0 213.281 -1.220 20 0 BAADRP CN(C(=O)CNC(=O)C[NH3+])C1CC([NH3+])C1 ZINC000567845830 326269179 /nfs/dbraw/zinc/26/91/79/326269179.db2.gz JJSXNCTXCSIMAA-UHFFFAOYSA-N 2 0 214.269 -1.991 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000567849424 326269792 /nfs/dbraw/zinc/26/97/92/326269792.db2.gz YQDULOQPJATDLV-BQBZGAKWSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H](NC(=O)COC1C[NH2+]C1)[C@H](C)[NH3+] ZINC000567849425 326269763 /nfs/dbraw/zinc/26/97/63/326269763.db2.gz YQDULOQPJATDLV-NKWVEPMBSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000567849426 326269983 /nfs/dbraw/zinc/26/99/83/326269983.db2.gz YQDULOQPJATDLV-RNFRBKRXSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000567849427 326270012 /nfs/dbraw/zinc/27/00/12/326270012.db2.gz YQDULOQPJATDLV-RQJHMYQMSA-N 2 0 201.270 -1.173 20 0 BAADRP C[NH2+]CCCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000567893358 326277966 /nfs/dbraw/zinc/27/79/66/326277966.db2.gz CYLMAGYGLCWXCT-UHFFFAOYSA-N 3 0 228.340 -1.041 20 0 BAADRP O=C(C1C[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000567899046 326279862 /nfs/dbraw/zinc/27/98/62/326279862.db2.gz LZXHLTRQOIXIJH-NXEZZACHSA-N 2 0 225.292 -1.205 20 0 BAADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000567899047 326279925 /nfs/dbraw/zinc/27/99/25/326279925.db2.gz LZXHLTRQOIXIJH-UWVGGRQHSA-N 2 0 225.292 -1.205 20 0 BAADRP O=C(C1C[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000567899048 326279612 /nfs/dbraw/zinc/27/96/12/326279612.db2.gz LZXHLTRQOIXIJH-VHSXEESVSA-N 2 0 225.292 -1.205 20 0 BAADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000567899049 326279832 /nfs/dbraw/zinc/27/98/32/326279832.db2.gz LZXHLTRQOIXIJH-ZJUUUORDSA-N 2 0 225.292 -1.205 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)C[NH3+] ZINC000567907290 326281135 /nfs/dbraw/zinc/28/11/35/326281135.db2.gz UVPKFJAHYIQRPP-SCZZXKLOSA-N 2 0 244.339 -1.203 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)C[NH3+] ZINC000567907291 326280840 /nfs/dbraw/zinc/28/08/40/326280840.db2.gz UVPKFJAHYIQRPP-WPRPVWTQSA-N 2 0 244.339 -1.203 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000568287793 326341638 /nfs/dbraw/zinc/34/16/38/326341638.db2.gz KEZQIRLODFMKAW-JTQLQIEISA-N 2 0 241.339 -1.447 20 0 BAADRP CN(CCC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000568288143 326341529 /nfs/dbraw/zinc/34/15/29/326341529.db2.gz VPSVJTUXEMNQIR-JTQLQIEISA-N 2 0 243.355 -1.120 20 0 BAADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000568288144 326337811 /nfs/dbraw/zinc/33/78/11/326337811.db2.gz VPSVJTUXEMNQIR-SNVBAGLBSA-N 2 0 243.355 -1.120 20 0 BAADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568293582 326342490 /nfs/dbraw/zinc/34/24/90/326342490.db2.gz BLQWSQDYWNHJTJ-VIFPVBQESA-N 2 0 242.323 -1.516 20 0 BAADRP C[C@@H]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C[NH3+] ZINC000568389890 326353249 /nfs/dbraw/zinc/35/32/49/326353249.db2.gz FYFGODUSXGISHE-BDAKNGLRSA-N 2 0 242.323 -1.495 20 0 BAADRP C[C@H]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C[NH3+] ZINC000568389891 326353241 /nfs/dbraw/zinc/35/32/41/326353241.db2.gz FYFGODUSXGISHE-DTWKUNHWSA-N 2 0 242.323 -1.495 20 0 BAADRP C[C@H]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C[NH3+] ZINC000568389892 326353002 /nfs/dbraw/zinc/35/30/02/326353002.db2.gz FYFGODUSXGISHE-IUCAKERBSA-N 2 0 242.323 -1.495 20 0 BAADRP C[C@@H]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C[NH3+] ZINC000568389893 326353296 /nfs/dbraw/zinc/35/32/96/326353296.db2.gz FYFGODUSXGISHE-RKDXNWHRSA-N 2 0 242.323 -1.495 20 0 BAADRP CC1(C)CN(C(=O)CNC(=O)C[NH3+])CC[NH2+]1 ZINC000568392157 326353762 /nfs/dbraw/zinc/35/37/62/326353762.db2.gz HHFNJNINTSNDOX-UHFFFAOYSA-N 2 0 228.296 -1.728 20 0 BAADRP C[NH2+]CCN(C)CCC(=O)N1CC[NH2+]CC1 ZINC000568392687 326353713 /nfs/dbraw/zinc/35/37/13/326353713.db2.gz WYCXVBOUMVYGMC-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP [NH3+]C1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000568762944 326375814 /nfs/dbraw/zinc/37/58/14/326375814.db2.gz DKKYRVDMNGJGFM-JTQLQIEISA-N 2 0 238.335 -1.016 20 0 BAADRP [NH3+]C1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000568762947 326375758 /nfs/dbraw/zinc/37/57/58/326375758.db2.gz DKKYRVDMNGJGFM-SNVBAGLBSA-N 2 0 238.335 -1.016 20 0 BAADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000568871549 326380392 /nfs/dbraw/zinc/38/03/92/326380392.db2.gz UCYVFMCUJXYMIB-GUBZILKMSA-N 2 0 228.340 -1.011 20 0 BAADRP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[C@H](C)[NH3+] ZINC000568871550 326380446 /nfs/dbraw/zinc/38/04/46/326380446.db2.gz UCYVFMCUJXYMIB-KXUCPTDWSA-N 2 0 228.340 -1.011 20 0 BAADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000568871551 326378829 /nfs/dbraw/zinc/37/88/29/326378829.db2.gz UCYVFMCUJXYMIB-LPEHRKFASA-N 2 0 228.340 -1.011 20 0 BAADRP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H](C)[NH3+] ZINC000568871553 326378766 /nfs/dbraw/zinc/37/87/66/326378766.db2.gz UCYVFMCUJXYMIB-UTLUCORTSA-N 2 0 228.340 -1.011 20 0 BAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568902686 326382398 /nfs/dbraw/zinc/38/23/98/326382398.db2.gz SRXQFPIQTPMAGY-GXSJLCMTSA-N 2 0 242.323 -1.286 20 0 BAADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568902687 326382215 /nfs/dbraw/zinc/38/22/15/326382215.db2.gz SRXQFPIQTPMAGY-ONGXEEELSA-N 2 0 242.323 -1.286 20 0 BAADRP O=C(COC1C[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000569220410 326395730 /nfs/dbraw/zinc/39/57/30/326395730.db2.gz HFTNXCOAVPDWOA-UHFFFAOYSA-N 2 0 242.323 -2.004 20 0 BAADRP CC1(C)CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[NH2+]1 ZINC000569226959 326396086 /nfs/dbraw/zinc/39/60/86/326396086.db2.gz VLTRTTOHBHNQKR-DTWKUNHWSA-N 2 0 227.308 -1.080 20 0 BAADRP C[C@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569338826 322948641 /nfs/dbraw/zinc/94/86/41/322948641.db2.gz BJPUNVMYKASREC-BDAKNGLRSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569338829 383915252 /nfs/dbraw/zinc/91/52/52/383915252.db2.gz BJPUNVMYKASREC-RKDXNWHRSA-N 2 0 242.323 -1.292 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000569455638 322966815 /nfs/dbraw/zinc/96/68/15/322966815.db2.gz ORMQZCDKONZCPU-SECBINFHSA-N 2 0 243.307 -1.449 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000569455647 384061039 /nfs/dbraw/zinc/06/10/39/384061039.db2.gz ORMQZCDKONZCPU-VIFPVBQESA-N 2 0 243.307 -1.449 20 0 BAADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000569458577 322966848 /nfs/dbraw/zinc/96/68/48/322966848.db2.gz AWWLZHKVPYKUBQ-NSHDSACASA-N 2 0 244.339 -1.059 20 0 BAADRP NC(=O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000569458633 384065386 /nfs/dbraw/zinc/06/53/86/384065386.db2.gz FDEQPKGXCHEJLJ-SECBINFHSA-N 2 0 242.323 -1.209 20 0 BAADRP NC(=O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000569458634 384064959 /nfs/dbraw/zinc/06/49/59/384064959.db2.gz FDEQPKGXCHEJLJ-VIFPVBQESA-N 2 0 242.323 -1.209 20 0 BAADRP CN(C(=O)COC1C[NH2+]C1)C1CC([NH3+])C1 ZINC000569603128 384522895 /nfs/dbraw/zinc/52/28/95/384522895.db2.gz FMDQFZWWYMXZLL-UHFFFAOYSA-N 2 0 213.281 -1.077 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000569622462 384625957 /nfs/dbraw/zinc/62/59/57/384625957.db2.gz JBLUQLMABYVABK-UWVGGRQHSA-N 2 0 241.339 -1.449 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000569622463 322998780 /nfs/dbraw/zinc/99/87/80/322998780.db2.gz JBLUQLMABYVABK-VHSXEESVSA-N 2 0 241.339 -1.449 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000569802904 323041102 /nfs/dbraw/zinc/04/11/02/323041102.db2.gz WEGBWSVEXFRGPP-SECBINFHSA-N 2 0 226.324 -1.384 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000569802905 323041129 /nfs/dbraw/zinc/04/11/29/323041129.db2.gz WEGBWSVEXFRGPP-VIFPVBQESA-N 2 0 226.324 -1.384 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000569847755 323042452 /nfs/dbraw/zinc/04/24/52/323042452.db2.gz HQTZKKRDMBFTBC-KKZNHRDASA-N 2 0 225.292 -1.076 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000569847758 323042448 /nfs/dbraw/zinc/04/24/48/323042448.db2.gz HQTZKKRDMBFTBC-YWVKMMECSA-N 2 0 225.292 -1.076 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NC1(C[NH3+])CCCC1 ZINC000570280605 323054925 /nfs/dbraw/zinc/05/49/25/323054925.db2.gz FMZFKBPVFJHNFP-UHFFFAOYSA-N 2 0 228.296 -1.551 20 0 BAADRP C[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000570563098 323063135 /nfs/dbraw/zinc/06/31/35/323063135.db2.gz OEEVOZFXAKZBTO-BDAKNGLRSA-N 2 0 242.323 -1.482 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570563099 323063090 /nfs/dbraw/zinc/06/30/90/323063090.db2.gz OEEVOZFXAKZBTO-DTWKUNHWSA-N 2 0 242.323 -1.482 20 0 BAADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570563100 323063130 /nfs/dbraw/zinc/06/31/30/323063130.db2.gz OEEVOZFXAKZBTO-IUCAKERBSA-N 2 0 242.323 -1.482 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570563101 323063104 /nfs/dbraw/zinc/06/31/04/323063104.db2.gz OEEVOZFXAKZBTO-RKDXNWHRSA-N 2 0 242.323 -1.482 20 0 BAADRP COCCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570582784 323063957 /nfs/dbraw/zinc/06/39/57/323063957.db2.gz JBUZDUPNCIHXDM-BDAKNGLRSA-N 2 0 213.281 -1.123 20 0 BAADRP COCCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570582785 323063977 /nfs/dbraw/zinc/06/39/77/323063977.db2.gz JBUZDUPNCIHXDM-DTWKUNHWSA-N 2 0 213.281 -1.123 20 0 BAADRP COCCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570582786 323063969 /nfs/dbraw/zinc/06/39/69/323063969.db2.gz JBUZDUPNCIHXDM-IUCAKERBSA-N 2 0 213.281 -1.123 20 0 BAADRP COCCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570582787 323064014 /nfs/dbraw/zinc/06/40/14/323064014.db2.gz JBUZDUPNCIHXDM-RKDXNWHRSA-N 2 0 213.281 -1.123 20 0 BAADRP C[C@@H]1CC[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1 ZINC000570686025 323067248 /nfs/dbraw/zinc/06/72/48/323067248.db2.gz GPUYMKOTCKODHG-SECBINFHSA-N 2 0 242.323 -1.481 20 0 BAADRP C[C@H]1CC[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1 ZINC000570686026 323067300 /nfs/dbraw/zinc/06/73/00/323067300.db2.gz GPUYMKOTCKODHG-VIFPVBQESA-N 2 0 242.323 -1.481 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000570721952 323068692 /nfs/dbraw/zinc/06/86/92/323068692.db2.gz ZUYWAUXLXBKGKE-HRDYMLBCSA-N 2 0 213.281 -1.090 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000570721954 323068629 /nfs/dbraw/zinc/06/86/29/323068629.db2.gz ZUYWAUXLXBKGKE-YIZRAAEISA-N 2 0 213.281 -1.090 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570841803 323072307 /nfs/dbraw/zinc/07/23/07/323072307.db2.gz NPGDUSSSQVNLJP-BDAKNGLRSA-N 2 0 242.323 -1.292 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570841804 323072360 /nfs/dbraw/zinc/07/23/60/323072360.db2.gz NPGDUSSSQVNLJP-DTWKUNHWSA-N 2 0 242.323 -1.292 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570841807 323072323 /nfs/dbraw/zinc/07/23/23/323072323.db2.gz NPGDUSSSQVNLJP-IUCAKERBSA-N 2 0 242.323 -1.292 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570841809 323072461 /nfs/dbraw/zinc/07/24/61/323072461.db2.gz NPGDUSSSQVNLJP-RKDXNWHRSA-N 2 0 242.323 -1.292 20 0 BAADRP CN(CC[NH3+])C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000570962846 323101873 /nfs/dbraw/zinc/10/18/73/323101873.db2.gz KGYQANGUABKJJC-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP CN(CC[NH3+])C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570962847 323101801 /nfs/dbraw/zinc/10/18/01/323101801.db2.gz KGYQANGUABKJJC-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP CN(CCOCC[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000571047059 323105184 /nfs/dbraw/zinc/10/51/84/323105184.db2.gz HWZBZHGXCFDDOS-UHFFFAOYSA-N 2 0 244.339 -1.675 20 0 BAADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571164721 323137291 /nfs/dbraw/zinc/13/72/91/323137291.db2.gz XVQWEPXSCNSXIN-JZYVYDRUSA-N 2 0 225.292 -1.301 20 0 BAADRP COC[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000571204911 386821588 /nfs/dbraw/zinc/82/15/88/386821588.db2.gz HGRICNQJOMUYSJ-BDAKNGLRSA-N 2 0 230.312 -1.939 20 0 BAADRP COC[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000571204913 350869238 /nfs/dbraw/zinc/86/92/38/350869238.db2.gz HGRICNQJOMUYSJ-IUCAKERBSA-N 2 0 230.312 -1.939 20 0 BAADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000571207105 323137890 /nfs/dbraw/zinc/13/78/90/323137890.db2.gz NHKDRAPXRBXDAB-NXEZZACHSA-N 2 0 228.340 -1.011 20 0 BAADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000571207108 323137952 /nfs/dbraw/zinc/13/79/52/323137952.db2.gz NHKDRAPXRBXDAB-VHSXEESVSA-N 2 0 228.340 -1.011 20 0 BAADRP O=C(COC1C[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000571402260 350974447 /nfs/dbraw/zinc/97/44/47/350974447.db2.gz JEFALGIGGGXLQC-SECBINFHSA-N 2 0 229.280 -1.921 20 0 BAADRP O=C(COC1C[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000571402261 350974819 /nfs/dbraw/zinc/97/48/19/350974819.db2.gz JEFALGIGGGXLQC-VIFPVBQESA-N 2 0 229.280 -1.921 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)[NH3+] ZINC000571522590 323146842 /nfs/dbraw/zinc/14/68/42/323146842.db2.gz BBWWMXQQFIQUPO-WPRPVWTQSA-N 2 0 244.339 -1.061 20 0 BAADRP C[NH2+]CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000571524053 323147310 /nfs/dbraw/zinc/14/73/10/323147310.db2.gz QGXXYBTTXFYURU-JTQLQIEISA-N 2 0 244.339 -1.188 20 0 BAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000571554640 323147761 /nfs/dbraw/zinc/14/77/61/323147761.db2.gz FIWFOFVYBMBRRW-SECBINFHSA-N 2 0 240.307 -1.762 20 0 BAADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)O1 ZINC000571561196 323147886 /nfs/dbraw/zinc/14/78/86/323147886.db2.gz VIPLGJPMULOTDI-ZJDVBMNYSA-N 2 0 225.292 -1.173 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C1 ZINC000571582908 323148504 /nfs/dbraw/zinc/14/85/04/323148504.db2.gz KINYDAGHZYUMPU-DTWKUNHWSA-N 2 0 228.296 -1.364 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C1 ZINC000571582909 323148648 /nfs/dbraw/zinc/14/86/48/323148648.db2.gz KINYDAGHZYUMPU-IUCAKERBSA-N 2 0 228.296 -1.364 20 0 BAADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000571640821 323150481 /nfs/dbraw/zinc/15/04/81/323150481.db2.gz SKUXBTRMRYOCGJ-SFYZADRCSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000571640824 323150470 /nfs/dbraw/zinc/15/04/70/323150470.db2.gz SKUXBTRMRYOCGJ-YUMQZZPRSA-N 2 0 201.270 -1.172 20 0 BAADRP CC1(C(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]C1 ZINC000571909020 387189157 /nfs/dbraw/zinc/18/91/57/387189157.db2.gz QUSXCEUJZLCRTR-MRVPVSSYSA-N 2 0 213.281 -1.300 20 0 BAADRP CC1(C(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]C1 ZINC000571909021 387189325 /nfs/dbraw/zinc/18/93/25/387189325.db2.gz QUSXCEUJZLCRTR-QMMMGPOBSA-N 2 0 213.281 -1.300 20 0 BAADRP CC1(C(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000571918174 323507931 /nfs/dbraw/zinc/50/79/31/323507931.db2.gz KUPQEJHNYXABDX-MRVPVSSYSA-N 2 0 213.281 -1.218 20 0 BAADRP CC1(C(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000571918182 398128049 /nfs/dbraw/zinc/12/80/49/398128049.db2.gz KUPQEJHNYXABDX-QMMMGPOBSA-N 2 0 213.281 -1.218 20 0 BAADRP C[NH2+]CCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000571918729 323508629 /nfs/dbraw/zinc/50/86/29/323508629.db2.gz PYKNJJMXMPCFKR-SECBINFHSA-N 2 0 214.313 -1.384 20 0 BAADRP C[NH2+]CCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000571918734 398127849 /nfs/dbraw/zinc/12/78/49/398127849.db2.gz PYKNJJMXMPCFKR-VIFPVBQESA-N 2 0 214.313 -1.384 20 0 BAADRP CN(CC(C)(C)C[NH3+])C(=O)CNC(=O)C[NH3+] ZINC000572001321 387218931 /nfs/dbraw/zinc/21/89/31/387218931.db2.gz IYEZSTNFAHZROL-UHFFFAOYSA-N 2 0 230.312 -1.495 20 0 BAADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572113125 387237640 /nfs/dbraw/zinc/23/76/40/387237640.db2.gz LAFSXYRJNIZSPP-GMTAPVOTSA-N 2 0 240.351 -1.138 20 0 BAADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572113126 323540687 /nfs/dbraw/zinc/54/06/87/323540687.db2.gz LAFSXYRJNIZSPP-OUAUKWLOSA-N 2 0 240.351 -1.138 20 0 BAADRP C[C@H](CC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000572156569 387253877 /nfs/dbraw/zinc/25/38/77/387253877.db2.gz RPSUUVPSBOKGQQ-BDAKNGLRSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@@H](CC[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000572156574 387252561 /nfs/dbraw/zinc/25/25/61/387252561.db2.gz RPSUUVPSBOKGQQ-DTWKUNHWSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@@H](CC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000572156575 387252508 /nfs/dbraw/zinc/25/25/08/387252508.db2.gz RPSUUVPSBOKGQQ-IUCAKERBSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@H](CC[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000572156576 387253811 /nfs/dbraw/zinc/25/38/11/387253811.db2.gz RPSUUVPSBOKGQQ-RKDXNWHRSA-N 2 0 242.323 -1.292 20 0 BAADRP C[NH2+][C@@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000572256757 323579990 /nfs/dbraw/zinc/57/99/90/323579990.db2.gz VCUNPCRRVDFSRT-VIFPVBQESA-N 2 0 242.323 -1.516 20 0 BAADRP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572496212 324133300 /nfs/dbraw/zinc/13/33/00/324133300.db2.gz FLXXALLJMLGKFN-BDAKNGLRSA-N 2 0 214.313 -1.386 20 0 BAADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572496213 324133438 /nfs/dbraw/zinc/13/34/38/324133438.db2.gz FLXXALLJMLGKFN-DTWKUNHWSA-N 2 0 214.313 -1.386 20 0 BAADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572496214 324133329 /nfs/dbraw/zinc/13/33/29/324133329.db2.gz FLXXALLJMLGKFN-IUCAKERBSA-N 2 0 214.313 -1.386 20 0 BAADRP C[NH2+][C@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572496215 324133419 /nfs/dbraw/zinc/13/34/19/324133419.db2.gz FLXXALLJMLGKFN-RKDXNWHRSA-N 2 0 214.313 -1.386 20 0 BAADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000572703575 384265245 /nfs/dbraw/zinc/26/52/45/384265245.db2.gz RCMHMRIHNXECMF-AXFHLTTASA-N 2 0 232.324 -1.274 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000572839421 326414280 /nfs/dbraw/zinc/41/42/80/326414280.db2.gz MMDRYAFTEYOXJN-SFYZADRCSA-N 2 0 229.280 -1.303 20 0 BAADRP C[C@H]([NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572857256 398201689 /nfs/dbraw/zinc/20/16/89/398201689.db2.gz RSWCIYQHQWBBDA-CIUDSAMLSA-N 2 0 212.297 -1.423 20 0 BAADRP C[C@H]([NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572857257 398201754 /nfs/dbraw/zinc/20/17/54/398201754.db2.gz RSWCIYQHQWBBDA-DJLDLDEBSA-N 2 0 212.297 -1.423 20 0 BAADRP C[C@H]([NH3+])CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572857258 398201822 /nfs/dbraw/zinc/20/18/22/398201822.db2.gz RSWCIYQHQWBBDA-XHNCKOQMSA-N 2 0 212.297 -1.423 20 0 BAADRP C[C@H]([NH3+])CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572857259 388380897 /nfs/dbraw/zinc/38/08/97/388380897.db2.gz RSWCIYQHQWBBDA-YIZRAAEISA-N 2 0 212.297 -1.423 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572869811 388382935 /nfs/dbraw/zinc/38/29/35/388382935.db2.gz RPMAOZBNAOJOIO-NXEZZACHSA-N 2 0 228.340 -1.138 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572869812 326415893 /nfs/dbraw/zinc/41/58/93/326415893.db2.gz RPMAOZBNAOJOIO-UWVGGRQHSA-N 2 0 228.340 -1.138 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572869813 326415977 /nfs/dbraw/zinc/41/59/77/326415977.db2.gz RPMAOZBNAOJOIO-VHSXEESVSA-N 2 0 228.340 -1.138 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572869814 326415897 /nfs/dbraw/zinc/41/58/97/326415897.db2.gz RPMAOZBNAOJOIO-ZJUUUORDSA-N 2 0 228.340 -1.138 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000572877643 388383285 /nfs/dbraw/zinc/38/32/85/388383285.db2.gz RFWFXAZJEMRSHB-ZJUUUORDSA-N 2 0 245.323 -1.155 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)COC1C[NH2+]C1 ZINC000573088936 326428954 /nfs/dbraw/zinc/42/89/54/326428954.db2.gz BRWZGUFMTSROCB-SECBINFHSA-N 2 0 242.323 -2.005 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000573088938 326428876 /nfs/dbraw/zinc/42/88/76/326428876.db2.gz BRWZGUFMTSROCB-VIFPVBQESA-N 2 0 242.323 -2.005 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000573119225 326430663 /nfs/dbraw/zinc/43/06/63/326430663.db2.gz HVNBRARZWOTQCG-FXQIFTODSA-N 2 0 229.280 -1.175 20 0 BAADRP CC(C)[NH2+]CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000573267492 388437558 /nfs/dbraw/zinc/43/75/58/388437558.db2.gz JQZSAOFLZUBGNS-UHFFFAOYSA-N 2 0 242.323 -1.468 20 0 BAADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000573387588 364821921 /nfs/dbraw/zinc/82/19/21/364821921.db2.gz SFHPBQCWUGJCRW-SECBINFHSA-N 2 0 230.312 -1.035 20 0 BAADRP CN(CCC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000573387589 364821250 /nfs/dbraw/zinc/82/12/50/364821250.db2.gz SFHPBQCWUGJCRW-VIFPVBQESA-N 2 0 230.312 -1.035 20 0 BAADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000573437451 364832247 /nfs/dbraw/zinc/83/22/47/364832247.db2.gz BGENQZAFYYOTOI-JTQLQIEISA-N 2 0 243.307 -1.531 20 0 BAADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000573437452 364832289 /nfs/dbraw/zinc/83/22/89/364832289.db2.gz BGENQZAFYYOTOI-SNVBAGLBSA-N 2 0 243.307 -1.531 20 0 BAADRP CN1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000573486158 364844539 /nfs/dbraw/zinc/84/45/39/364844539.db2.gz AJJCWXYKKPTUAV-JTQLQIEISA-N 2 0 226.324 -1.160 20 0 BAADRP CN1CCN(C(=O)C[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000573486159 364844306 /nfs/dbraw/zinc/84/43/06/364844306.db2.gz AJJCWXYKKPTUAV-SNVBAGLBSA-N 2 0 226.324 -1.160 20 0 BAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000573713320 364899794 /nfs/dbraw/zinc/89/97/94/364899794.db2.gz XDCUEQJLKDFZDP-SRQGCSHVSA-N 2 0 225.292 -1.303 20 0 BAADRP O=C(C[NH2+]C1CC1)NCCN1CC[NH2+]CC1 ZINC000573723318 364902653 /nfs/dbraw/zinc/90/26/53/364902653.db2.gz IBLDHZJQTZVZOB-UHFFFAOYSA-N 2 0 226.324 -1.240 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000573918495 364945435 /nfs/dbraw/zinc/94/54/35/364945435.db2.gz LVTUWRPJOCGMLF-LURJTMIESA-N 2 0 217.269 -1.270 20 0 BAADRP [NH3+]CC1(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000574340173 365042638 /nfs/dbraw/zinc/04/26/38/365042638.db2.gz WNQZEFMWDJMFEA-NXEZZACHSA-N 2 0 238.335 -1.031 20 0 BAADRP [NH3+]CC1(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000574340176 365042651 /nfs/dbraw/zinc/04/26/51/365042651.db2.gz WNQZEFMWDJMFEA-UWVGGRQHSA-N 2 0 238.335 -1.031 20 0 BAADRP [NH3+]CC1(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000574340177 365042371 /nfs/dbraw/zinc/04/23/71/365042371.db2.gz WNQZEFMWDJMFEA-VHSXEESVSA-N 2 0 238.335 -1.031 20 0 BAADRP [NH3+]CC1(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000574340178 365042796 /nfs/dbraw/zinc/04/27/96/365042796.db2.gz WNQZEFMWDJMFEA-ZJUUUORDSA-N 2 0 238.335 -1.031 20 0 BAADRP CC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000574398523 365052592 /nfs/dbraw/zinc/05/25/92/365052592.db2.gz HDZQSWKEHQMUEJ-MRVPVSSYSA-N 2 0 228.296 -1.728 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000574444191 365062128 /nfs/dbraw/zinc/06/21/28/365062128.db2.gz VOQFBBHHMWATBH-BDAKNGLRSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000574444194 365062144 /nfs/dbraw/zinc/06/21/44/365062144.db2.gz VOQFBBHHMWATBH-DTWKUNHWSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000574444196 365061808 /nfs/dbraw/zinc/06/18/08/365061808.db2.gz VOQFBBHHMWATBH-IUCAKERBSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000574444199 365062465 /nfs/dbraw/zinc/06/24/65/365062465.db2.gz VOQFBBHHMWATBH-RKDXNWHRSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000574453599 365065074 /nfs/dbraw/zinc/06/50/74/365065074.db2.gz UTAACPPCKDFAIY-VIFPVBQESA-N 2 0 230.312 -1.579 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000574636293 365107339 /nfs/dbraw/zinc/10/73/39/365107339.db2.gz UNJYEHQIWCXFHC-NXEZZACHSA-N 2 0 228.340 -1.009 20 0 BAADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000574636294 365106834 /nfs/dbraw/zinc/10/68/34/365106834.db2.gz UNJYEHQIWCXFHC-UWVGGRQHSA-N 2 0 228.340 -1.009 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000574636295 365105310 /nfs/dbraw/zinc/10/53/10/365105310.db2.gz UNJYEHQIWCXFHC-VHSXEESVSA-N 2 0 228.340 -1.009 20 0 BAADRP C[C@@H](C(=O)NCCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000574636296 365105398 /nfs/dbraw/zinc/10/53/98/365105398.db2.gz UNJYEHQIWCXFHC-ZJUUUORDSA-N 2 0 228.340 -1.009 20 0 BAADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000574652569 365115422 /nfs/dbraw/zinc/11/54/22/365115422.db2.gz RRYAUFCPPLRDLG-GXSJLCMTSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000574652570 365115232 /nfs/dbraw/zinc/11/52/32/365115232.db2.gz RRYAUFCPPLRDLG-ONGXEEELSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH+](C)C[C@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000574812882 365150141 /nfs/dbraw/zinc/15/01/41/365150141.db2.gz KVKVRIZLJFPNKG-NEPJUHHUSA-N 2 0 245.367 -1.046 20 0 BAADRP C[NH+](C)C[C@@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000574812883 365150470 /nfs/dbraw/zinc/15/04/70/365150470.db2.gz KVKVRIZLJFPNKG-NWDGAFQWSA-N 2 0 245.367 -1.046 20 0 BAADRP C[NH+](C)C[C@@H](O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000574812884 365150104 /nfs/dbraw/zinc/15/01/04/365150104.db2.gz KVKVRIZLJFPNKG-RYUDHWBXSA-N 2 0 245.367 -1.046 20 0 BAADRP C[NH+](C)C[C@H](O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000574812885 365149884 /nfs/dbraw/zinc/14/98/84/365149884.db2.gz KVKVRIZLJFPNKG-VXGBXAGGSA-N 2 0 245.367 -1.046 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000574915941 346412763 /nfs/dbraw/zinc/41/27/63/346412763.db2.gz NCFPCDUDZCQCKR-YUMQZZPRSA-N 2 0 229.280 -1.255 20 0 BAADRP C[C@@H]1CN(C(=O)CNC(=O)C[NH3+])C[C@@]1(C)C[NH3+] ZINC000575748750 365352655 /nfs/dbraw/zinc/35/26/55/365352655.db2.gz MXCCSJDEOIHCEM-LDYMZIIASA-N 2 0 242.323 -1.495 20 0 BAADRP CC(C)C[C@H](C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000575801908 365368447 /nfs/dbraw/zinc/36/84/47/365368447.db2.gz WSAKNIFSMCKYEM-MRVPVSSYSA-N 2 0 230.312 -1.449 20 0 BAADRP CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000575801909 365368296 /nfs/dbraw/zinc/36/82/96/365368296.db2.gz WSAKNIFSMCKYEM-QMMMGPOBSA-N 2 0 230.312 -1.449 20 0 BAADRP COCC[NH2+][C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000575931952 365419734 /nfs/dbraw/zinc/41/97/34/365419734.db2.gz VMWZIHSJUZXDCL-SECBINFHSA-N 2 0 243.307 -1.089 20 0 BAADRP COCC[NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000575931953 365420854 /nfs/dbraw/zinc/42/08/54/365420854.db2.gz VMWZIHSJUZXDCL-VIFPVBQESA-N 2 0 243.307 -1.089 20 0 BAADRP C[NH2+]CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000575987393 365437257 /nfs/dbraw/zinc/43/72/57/365437257.db2.gz SPLCSEVVFJLNEY-SECBINFHSA-N 2 0 242.323 -1.420 20 0 BAADRP C[NH2+]CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575987394 365437476 /nfs/dbraw/zinc/43/74/76/365437476.db2.gz SPLCSEVVFJLNEY-VIFPVBQESA-N 2 0 242.323 -1.420 20 0 BAADRP [NH3+]CCN(CCO)CCC(=O)N1CC[NH2+]CC1 ZINC000576399388 365585722 /nfs/dbraw/zinc/58/57/22/365585722.db2.gz LLMFNCYZSPRVSV-UHFFFAOYSA-N 2 0 244.339 -1.939 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000576635014 365643757 /nfs/dbraw/zinc/64/37/57/365643757.db2.gz VAENHGTWSMVMCX-JGVFFNPUSA-N 2 0 231.296 -1.024 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000576635015 365643360 /nfs/dbraw/zinc/64/33/60/365643360.db2.gz VAENHGTWSMVMCX-YUMQZZPRSA-N 2 0 231.296 -1.024 20 0 BAADRP CC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000576635182 365644839 /nfs/dbraw/zinc/64/48/39/365644839.db2.gz HDZQSWKEHQMUEJ-QMMMGPOBSA-N 2 0 228.296 -1.728 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)CN2CCNCC2=O)C1 ZINC000576872137 365708097 /nfs/dbraw/zinc/70/80/97/365708097.db2.gz OPKQZMOEACFJME-SECBINFHSA-N 2 0 240.307 -1.762 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)CN2CCNCC2=O)C1 ZINC000576872144 365708613 /nfs/dbraw/zinc/70/86/13/365708613.db2.gz OPKQZMOEACFJME-VIFPVBQESA-N 2 0 240.307 -1.762 20 0 BAADRP CC(C)([NH3+])CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000576985907 365742820 /nfs/dbraw/zinc/74/28/20/365742820.db2.gz DACNZJHZFBBTHC-MRVPVSSYSA-N 2 0 242.323 -1.292 20 0 BAADRP CC(C)([NH3+])CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576985911 365743346 /nfs/dbraw/zinc/74/33/46/365743346.db2.gz DACNZJHZFBBTHC-QMMMGPOBSA-N 2 0 242.323 -1.292 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577061188 365798053 /nfs/dbraw/zinc/79/80/53/365798053.db2.gz ZHHNIBCAGTYHKL-DTORHVGOSA-N 2 0 240.307 -1.586 20 0 BAADRP C[N@H+](CCCN1CCOCC1)C[C@H](O)C[NH3+] ZINC000577067005 365802063 /nfs/dbraw/zinc/80/20/63/365802063.db2.gz VDUDFLFPFMFAED-LLVKDONJSA-N 2 0 231.340 -1.040 20 0 BAADRP C[N@H+](CCCN1CCOCC1)C[C@@H](O)C[NH3+] ZINC000577067006 365801454 /nfs/dbraw/zinc/80/14/54/365801454.db2.gz VDUDFLFPFMFAED-NSHDSACASA-N 2 0 231.340 -1.040 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000577106532 365817454 /nfs/dbraw/zinc/81/74/54/365817454.db2.gz NCFPCDUDZCQCKR-SFYZADRCSA-N 2 0 229.280 -1.255 20 0 BAADRP CC(C)(C[NH3+])NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000577280468 365916642 /nfs/dbraw/zinc/91/66/42/365916642.db2.gz UCESTVNPIVJEEJ-MRVPVSSYSA-N 2 0 242.323 -1.292 20 0 BAADRP CC(C)(C[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577280469 365915979 /nfs/dbraw/zinc/91/59/79/365915979.db2.gz UCESTVNPIVJEEJ-QMMMGPOBSA-N 2 0 242.323 -1.292 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CC[NH2+]C1 ZINC000577530281 365981043 /nfs/dbraw/zinc/98/10/43/365981043.db2.gz FTVSKNVPJAGCJI-RBXMUDONSA-N 2 0 210.281 -1.135 20 0 BAADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000577636081 366028276 /nfs/dbraw/zinc/02/82/76/366028276.db2.gz HUKNBQDZYGXUHX-AATLWQCWSA-N 2 0 227.308 -1.034 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000577731531 366046607 /nfs/dbraw/zinc/04/66/07/366046607.db2.gz DSZMXDKRCMXQMC-SCZZXKLOSA-N 2 0 244.339 -1.061 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000577731532 366046666 /nfs/dbraw/zinc/04/66/66/366046666.db2.gz DSZMXDKRCMXQMC-WPRPVWTQSA-N 2 0 244.339 -1.061 20 0 BAADRP O=C(C[NH2+]C1CC1)NC[C@H]1C[NH2+]CCO1 ZINC000578127325 366287857 /nfs/dbraw/zinc/28/78/57/366287857.db2.gz OCZQCDTYWUJTRD-SECBINFHSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(C[NH2+]C1CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000578127326 366287267 /nfs/dbraw/zinc/28/72/67/366287267.db2.gz OCZQCDTYWUJTRD-VIFPVBQESA-N 2 0 213.281 -1.157 20 0 BAADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000578191339 366376027 /nfs/dbraw/zinc/37/60/27/366376027.db2.gz CNCINDSLGDKKTH-QMMMGPOBSA-N 2 0 231.296 -1.007 20 0 BAADRP COCC[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000578191660 366375937 /nfs/dbraw/zinc/37/59/37/366375937.db2.gz AIUSNJVFPZNJHQ-JTQLQIEISA-N 2 0 244.339 -1.758 20 0 BAADRP COCC[NH2+]CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578191661 366375897 /nfs/dbraw/zinc/37/58/97/366375897.db2.gz AIUSNJVFPZNJHQ-SNVBAGLBSA-N 2 0 244.339 -1.758 20 0 BAADRP C[NH2+][C@@H](C)C(=O)NCC[NH2+]CCOC ZINC000578205726 366390674 /nfs/dbraw/zinc/39/06/74/366390674.db2.gz YLJIXLVZPPRCIS-QMMMGPOBSA-N 2 0 203.286 -1.054 20 0 BAADRP O=C(COC1C[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000578238133 366467061 /nfs/dbraw/zinc/46/70/61/366467061.db2.gz LXNMGKNFPXWLCM-VHSXEESVSA-N 2 0 241.291 -1.826 20 0 BAADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000578427000 366565086 /nfs/dbraw/zinc/56/50/86/366565086.db2.gz DARZNIDJOTVRMY-UHFFFAOYSA-N 2 0 242.323 -1.516 20 0 BAADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](CO)[C@H](O)C1 ZINC000578518686 366587853 /nfs/dbraw/zinc/58/78/53/366587853.db2.gz DTRNUUHFVOVICI-GRYCIOLGSA-N 2 0 246.351 -1.026 20 0 BAADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC000578518687 366587564 /nfs/dbraw/zinc/58/75/64/366587564.db2.gz DTRNUUHFVOVICI-SDDRHHMPSA-N 2 0 246.351 -1.026 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CCC[NH3+] ZINC000578531858 366591649 /nfs/dbraw/zinc/59/16/49/366591649.db2.gz REOPBOSBTLBNHB-SECBINFHSA-N 2 0 214.313 -1.255 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)CCC[NH3+] ZINC000578531863 366592456 /nfs/dbraw/zinc/59/24/56/366592456.db2.gz REOPBOSBTLBNHB-VIFPVBQESA-N 2 0 214.313 -1.255 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000578865825 366660710 /nfs/dbraw/zinc/66/07/10/366660710.db2.gz APUKJEBYPNLEQU-KAVNDROISA-N 2 0 201.270 -1.092 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000578865826 366659833 /nfs/dbraw/zinc/65/98/33/366659833.db2.gz APUKJEBYPNLEQU-RRQHEKLDSA-N 2 0 201.270 -1.092 20 0 BAADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578987846 366687479 /nfs/dbraw/zinc/68/74/79/366687479.db2.gz CWGIHOQJHINAPI-BDAKNGLRSA-N 2 0 214.313 -1.257 20 0 BAADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000578987877 366686886 /nfs/dbraw/zinc/68/68/86/366686886.db2.gz CWGIHOQJHINAPI-IUCAKERBSA-N 2 0 214.313 -1.257 20 0 BAADRP CCN(CCO)CC[NH2+]C[C@H](O)COC ZINC000579122023 366716380 /nfs/dbraw/zinc/71/63/80/366716380.db2.gz LRNRHOKESIKAAM-JTQLQIEISA-N 2 0 220.313 -1.103 20 0 BAADRP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000579127305 366719634 /nfs/dbraw/zinc/71/96/34/366719634.db2.gz XDCUEQJLKDFZDP-SPFKKGSWSA-N 2 0 225.292 -1.303 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000579227867 366738374 /nfs/dbraw/zinc/73/83/74/366738374.db2.gz KKNGZHYPPYIEGT-JTQLQIEISA-N 2 0 245.323 -1.201 20 0 BAADRP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000579227868 366738433 /nfs/dbraw/zinc/73/84/33/366738433.db2.gz KKNGZHYPPYIEGT-SNVBAGLBSA-N 2 0 245.323 -1.201 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]1 ZINC000579229553 366739557 /nfs/dbraw/zinc/73/95/57/366739557.db2.gz HVWUWCJLKQJFBP-DTWKUNHWSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]1 ZINC000579229554 366739311 /nfs/dbraw/zinc/73/93/11/366739311.db2.gz HVWUWCJLKQJFBP-RKDXNWHRSA-N 2 0 213.281 -1.157 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC[NH3+] ZINC000579232685 366740730 /nfs/dbraw/zinc/74/07/30/366740730.db2.gz WGSODEFHJCVKAS-VIFPVBQESA-N 2 0 230.312 -1.497 20 0 BAADRP [NH3+]CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000579471893 366819734 /nfs/dbraw/zinc/81/97/34/366819734.db2.gz HLYOBQBWEVROIU-SECBINFHSA-N 2 0 242.323 -1.290 20 0 BAADRP [NH3+]CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000579471894 366819668 /nfs/dbraw/zinc/81/96/68/366819668.db2.gz HLYOBQBWEVROIU-VIFPVBQESA-N 2 0 242.323 -1.290 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000579591407 366895458 /nfs/dbraw/zinc/89/54/58/366895458.db2.gz OLNBSEQNTLZPMH-BIIVOSGPSA-N 2 0 201.270 -1.234 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000579591408 366895203 /nfs/dbraw/zinc/89/52/03/366895203.db2.gz OLNBSEQNTLZPMH-BWZBUEFSSA-N 2 0 201.270 -1.234 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000579591409 366896077 /nfs/dbraw/zinc/89/60/77/366896077.db2.gz OLNBSEQNTLZPMH-GJMOJQLCSA-N 2 0 201.270 -1.234 20 0 BAADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000579591410 366895032 /nfs/dbraw/zinc/89/50/32/366895032.db2.gz OLNBSEQNTLZPMH-XLPZGREQSA-N 2 0 201.270 -1.234 20 0 BAADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579830650 367036946 /nfs/dbraw/zinc/03/69/46/367036946.db2.gz FNBBLLSCGOALCX-SNVBAGLBSA-N 2 0 242.323 -1.482 20 0 BAADRP CCCC[C@H](C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000579834719 367037716 /nfs/dbraw/zinc/03/77/16/367037716.db2.gz NIVGBVOKLDCIKG-MRVPVSSYSA-N 2 0 230.312 -1.305 20 0 BAADRP CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000579834720 367038479 /nfs/dbraw/zinc/03/84/79/367038479.db2.gz NIVGBVOKLDCIKG-QMMMGPOBSA-N 2 0 230.312 -1.305 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000579835256 367039617 /nfs/dbraw/zinc/03/96/17/367039617.db2.gz OHTXEOPSLMMLBY-JTQLQIEISA-N 2 0 228.340 -1.137 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000579835257 367039749 /nfs/dbraw/zinc/03/97/49/367039749.db2.gz OHTXEOPSLMMLBY-SNVBAGLBSA-N 2 0 228.340 -1.137 20 0 BAADRP CN(CC[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC000579950451 367098969 /nfs/dbraw/zinc/09/89/69/367098969.db2.gz BAVFOGBIBRIIHU-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP CN(CC[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC000579950452 367098187 /nfs/dbraw/zinc/09/81/87/367098187.db2.gz BAVFOGBIBRIIHU-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP CCC([NH3+])(CC)CNC(=O)CNC(=O)C[NH3+] ZINC000580072106 346511848 /nfs/dbraw/zinc/51/18/48/346511848.db2.gz MTROIYHFZVWZOT-UHFFFAOYSA-N 2 0 230.312 -1.305 20 0 BAADRP CC(C)[C@](C)(C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000580075876 346513431 /nfs/dbraw/zinc/51/34/31/346513431.db2.gz FIQRMDPEVJUYBV-JTQLQIEISA-N 2 0 230.312 -1.449 20 0 BAADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000580075877 346513420 /nfs/dbraw/zinc/51/34/20/346513420.db2.gz FIQRMDPEVJUYBV-SNVBAGLBSA-N 2 0 230.312 -1.449 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000580325338 347093304 /nfs/dbraw/zinc/09/33/04/347093304.db2.gz WLVRSKHWJHENMA-NXEZZACHSA-N 2 0 226.324 -1.384 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000580325339 347092910 /nfs/dbraw/zinc/09/29/10/347092910.db2.gz WLVRSKHWJHENMA-ZJUUUORDSA-N 2 0 226.324 -1.384 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000580442674 359551600 /nfs/dbraw/zinc/55/16/00/359551600.db2.gz MMDRYAFTEYOXJN-YUMQZZPRSA-N 2 0 229.280 -1.303 20 0 BAADRP C[C@@]1(CNC(=O)CNC(=O)C[NH3+])CCC[NH2+]C1 ZINC000580562703 365762945 /nfs/dbraw/zinc/76/29/45/365762945.db2.gz YSCFFXKVPWEPGC-LLVKDONJSA-N 2 0 242.323 -1.433 20 0 BAADRP C[C@]1(CNC(=O)CNC(=O)C[NH3+])CCC[NH2+]C1 ZINC000580562704 365762489 /nfs/dbraw/zinc/76/24/89/365762489.db2.gz YSCFFXKVPWEPGC-NSHDSACASA-N 2 0 242.323 -1.433 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000580709364 367147486 /nfs/dbraw/zinc/14/74/86/367147486.db2.gz VIFVVJOXRIFUEK-FXQIFTODSA-N 2 0 201.270 -1.092 20 0 BAADRP COC[C@]1(CNC(=O)[C@H](C[NH3+])OC)CCC[NH2+]1 ZINC000580769169 366805824 /nfs/dbraw/zinc/80/58/24/366805824.db2.gz VMDFWXKGXKWAME-GXSJLCMTSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@@]1(CNC(=O)[C@@H](C[NH3+])OC)CCC[NH2+]1 ZINC000580769170 366806104 /nfs/dbraw/zinc/80/61/04/366806104.db2.gz VMDFWXKGXKWAME-KOLCDFICSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@]1(CNC(=O)[C@@H](C[NH3+])OC)CCC[NH2+]1 ZINC000580769171 366805287 /nfs/dbraw/zinc/80/52/87/366805287.db2.gz VMDFWXKGXKWAME-MWLCHTKSSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@@]1(CNC(=O)[C@H](C[NH3+])OC)CCC[NH2+]1 ZINC000580769172 366805473 /nfs/dbraw/zinc/80/54/73/366805473.db2.gz VMDFWXKGXKWAME-ONGXEEELSA-N 2 0 245.323 -1.155 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000580832976 367181092 /nfs/dbraw/zinc/18/10/92/367181092.db2.gz NHKDRAPXRBXDAB-UWVGGRQHSA-N 2 0 228.340 -1.011 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000580832977 367181356 /nfs/dbraw/zinc/18/13/56/367181356.db2.gz 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CCQVQHKIVSJOQZ-AOOOYVTPSA-N 2 0 227.308 -1.100 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000583872835 358084700 /nfs/dbraw/zinc/08/47/00/358084700.db2.gz JLNFDUDMTWTUTL-SECBINFHSA-N 2 0 240.307 -1.586 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000583872836 358084880 /nfs/dbraw/zinc/08/48/80/358084880.db2.gz JLNFDUDMTWTUTL-VIFPVBQESA-N 2 0 240.307 -1.586 20 0 BAADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]CCO)C1=O ZINC000583880134 358113820 /nfs/dbraw/zinc/11/38/20/358113820.db2.gz OEBXBKGHQUAMMD-SECBINFHSA-N 2 0 243.307 -1.353 20 0 BAADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]CCO)C1=O ZINC000583880135 358114355 /nfs/dbraw/zinc/11/43/55/358114355.db2.gz OEBXBKGHQUAMMD-VIFPVBQESA-N 2 0 243.307 -1.353 20 0 BAADRP O=C(COC1C[NH2+]C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000583934065 342728358 /nfs/dbraw/zinc/72/83/58/342728358.db2.gz KMYWZFMGCHHXBE-JTQLQIEISA-N 2 0 243.307 -1.531 20 0 BAADRP O=C(COC1C[NH2+]C1)NC[C@H]1C[NH2+]CCCO1 ZINC000583934066 342728392 /nfs/dbraw/zinc/72/83/92/342728392.db2.gz KMYWZFMGCHHXBE-SNVBAGLBSA-N 2 0 243.307 -1.531 20 0 BAADRP CN(CC[NH3+])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000584290713 344425551 /nfs/dbraw/zinc/42/55/51/344425551.db2.gz AJAMVTIQFUSJDO-MRVPVSSYSA-N 2 0 228.296 -1.728 20 0 BAADRP CN(CC[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000584290714 344425409 /nfs/dbraw/zinc/42/54/09/344425409.db2.gz AJAMVTIQFUSJDO-QMMMGPOBSA-N 2 0 228.296 -1.728 20 0 BAADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC1 ZINC000584350727 356064431 /nfs/dbraw/zinc/06/44/31/356064431.db2.gz ZOBQCDFTSWBLSJ-MRVPVSSYSA-N 2 0 213.281 -1.028 20 0 BAADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC1 ZINC000584350728 356064275 /nfs/dbraw/zinc/06/42/75/356064275.db2.gz ZOBQCDFTSWBLSJ-QMMMGPOBSA-N 2 0 213.281 -1.028 20 0 BAADRP CN1CCN(C(=O)CC[NH2+]C(CO)CO)CC1 ZINC000584359039 357328670 /nfs/dbraw/zinc/32/86/70/357328670.db2.gz OUCUKJSHBDSELN-UHFFFAOYSA-N 2 0 245.323 -1.907 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC(C)(C)C[NH3+] ZINC000584469927 357989500 /nfs/dbraw/zinc/98/95/00/357989500.db2.gz DBJYXKXUEZGSCJ-VIFPVBQESA-N 2 0 244.339 -1.061 20 0 BAADRP CC[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000584526523 358041070 /nfs/dbraw/zinc/04/10/70/358041070.db2.gz UEQYWBRWKKDYDK-SECBINFHSA-N 2 0 242.323 -1.386 20 0 BAADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000584720236 358161417 /nfs/dbraw/zinc/16/14/17/358161417.db2.gz CBDVCBCFPNMMGO-SSDOTTSWSA-N 2 0 230.312 -1.449 20 0 BAADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC000584720237 358161143 /nfs/dbraw/zinc/16/11/43/358161143.db2.gz CBDVCBCFPNMMGO-ZETCQYMHSA-N 2 0 230.312 -1.449 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584721177 358162040 /nfs/dbraw/zinc/16/20/40/358162040.db2.gz JBODPUTZNRKTJG-YIZRAAEISA-N 2 0 241.291 -1.445 20 0 BAADRP C[NH+](C)CCOCC[NH2+]CCC(=O)NC(N)=O ZINC000591758639 347692130 /nfs/dbraw/zinc/69/21/30/347692130.db2.gz GMGOZVCNICCTRD-UHFFFAOYSA-N 2 0 246.311 -1.261 20 0 BAADRP 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NFHOAONFJKEXJQ-FXQIFTODSA-N 2 0 247.270 -1.307 20 0 BAADRP C[NH2+]CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592548024 347799867 /nfs/dbraw/zinc/79/98/67/347799867.db2.gz LDRVZTLOKRWPGD-MRVPVSSYSA-N 2 0 229.280 -1.431 20 0 BAADRP C[NH2+]CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592548028 347800056 /nfs/dbraw/zinc/80/00/56/347800056.db2.gz LDRVZTLOKRWPGD-QMMMGPOBSA-N 2 0 229.280 -1.431 20 0 BAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[NH3+] ZINC000592548479 347800048 /nfs/dbraw/zinc/80/00/48/347800048.db2.gz RIKZYIARYUZQNK-HTQZYQBOSA-N 2 0 229.280 -1.303 20 0 BAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)[NH3+] ZINC000592548480 347799827 /nfs/dbraw/zinc/79/98/27/347799827.db2.gz RIKZYIARYUZQNK-JGVFFNPUSA-N 2 0 229.280 -1.303 20 0 BAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)[NH3+] ZINC000592548855 347800096 /nfs/dbraw/zinc/80/00/96/347800096.db2.gz RIKZYIARYUZQNK-SFYZADRCSA-N 2 0 229.280 -1.303 20 0 BAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)[NH3+] ZINC000592548876 347800004 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YZDRFZFGCINBSM-GJMOJQLCSA-N 2 0 247.270 -1.226 20 0 BAADRP C[NH2+]CCOCC[N@H+](C)CCC(=O)NC(N)=O ZINC000600731745 344364672 /nfs/dbraw/zinc/36/46/72/344364672.db2.gz UCVIDAPKQAROGU-UHFFFAOYSA-N 2 0 246.311 -1.261 20 0 BAADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000600732166 344364715 /nfs/dbraw/zinc/36/47/15/344364715.db2.gz XRMDODCHRGNWLT-MRVPVSSYSA-N 2 0 246.311 -1.262 20 0 BAADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000600732167 344364762 /nfs/dbraw/zinc/36/47/62/344364762.db2.gz XRMDODCHRGNWLT-QMMMGPOBSA-N 2 0 246.311 -1.262 20 0 BAADRP C[N@H+](CCOCC[NH3+])CCC(=O)NC(N)=O ZINC000600737444 344365753 /nfs/dbraw/zinc/36/57/53/344365753.db2.gz VJSZSFINKKVDGV-UHFFFAOYSA-N 2 0 232.284 -1.522 20 0 BAADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000602534243 349602013 /nfs/dbraw/zinc/60/20/13/349602013.db2.gz HUDQIBFEUNUMSP-ZETCQYMHSA-N 2 0 217.269 -1.316 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602572308 349622249 /nfs/dbraw/zinc/62/22/49/349622249.db2.gz GFUUMFZFLQVHIS-BIIVOSGPSA-N 2 0 229.280 -1.257 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602589300 349613328 /nfs/dbraw/zinc/61/33/28/349613328.db2.gz TXCOAKUOEPPSPD-FXQIFTODSA-N 2 0 227.264 -1.551 20 0 BAADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590358 349614279 /nfs/dbraw/zinc/61/42/79/349614279.db2.gz GEQJFTQTOOCXLI-YIZRAAEISA-N 2 0 241.291 -1.160 20 0 BAADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590795 349613912 /nfs/dbraw/zinc/61/39/12/349613912.db2.gz ZUJIQOKMSCWTGR-CIUDSAMLSA-N 2 0 241.291 -1.160 20 0 BAADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590796 349614242 /nfs/dbraw/zinc/61/42/42/349614242.db2.gz ZUJIQOKMSCWTGR-XHNCKOQMSA-N 2 0 241.291 -1.160 20 0 BAADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000614845199 363992324 /nfs/dbraw/zinc/99/23/24/363992324.db2.gz AIJCHQQLLQPXGC-NXEZZACHSA-N 2 0 229.324 -1.023 20 0 BAADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000614845200 363991969 /nfs/dbraw/zinc/99/19/69/363991969.db2.gz AIJCHQQLLQPXGC-UWVGGRQHSA-N 2 0 229.324 -1.023 20 0 BAADRP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000614845201 363992163 /nfs/dbraw/zinc/99/21/63/363992163.db2.gz AIJCHQQLLQPXGC-VHSXEESVSA-N 2 0 229.324 -1.023 20 0 BAADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000614845202 363992259 /nfs/dbraw/zinc/99/22/59/363992259.db2.gz AIJCHQQLLQPXGC-ZJUUUORDSA-N 2 0 229.324 -1.023 20 0 BAADRP C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614845844 363994650 /nfs/dbraw/zinc/99/46/50/363994650.db2.gz FITKAJISSXTPSS-DTWKUNHWSA-N 2 0 217.313 -1.025 20 0 BAADRP C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614845848 363994272 /nfs/dbraw/zinc/99/42/72/363994272.db2.gz FITKAJISSXTPSS-IUCAKERBSA-N 2 0 217.313 -1.025 20 0 BAADRP CNS(=O)(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000621248909 398099052 /nfs/dbraw/zinc/09/90/52/398099052.db2.gz BZRMJTOIYXVHQH-DTORHVGOSA-N 2 0 233.337 -1.313 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684265 370433720 /nfs/dbraw/zinc/43/37/20/370433720.db2.gz JUMBWBQZKGRMTK-GZMMTYOYSA-N 2 0 240.307 -1.599 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684266 370434011 /nfs/dbraw/zinc/43/40/11/370434011.db2.gz JUMBWBQZKGRMTK-KCJUWKMLSA-N 2 0 240.307 -1.599 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684267 370433640 /nfs/dbraw/zinc/43/36/40/370433640.db2.gz JUMBWBQZKGRMTK-KWQFWETISA-N 2 0 240.307 -1.599 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684268 370433875 /nfs/dbraw/zinc/43/38/75/370433875.db2.gz JUMBWBQZKGRMTK-LDYMZIIASA-N 2 0 240.307 -1.599 20 0 BAADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000621700583 370442706 /nfs/dbraw/zinc/44/27/06/370442706.db2.gz RMMKBEOVPJVKQM-PSASIEDQSA-N 2 0 225.292 -1.340 20 0 BAADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000621700584 370442941 /nfs/dbraw/zinc/44/29/41/370442941.db2.gz RMMKBEOVPJVKQM-SCZZXKLOSA-N 2 0 225.292 -1.340 20 0 BAADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000621700585 370443263 /nfs/dbraw/zinc/44/32/63/370443263.db2.gz RMMKBEOVPJVKQM-WCBMZHEXSA-N 2 0 225.292 -1.340 20 0 BAADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000621700586 370442924 /nfs/dbraw/zinc/44/29/24/370442924.db2.gz RMMKBEOVPJVKQM-WPRPVWTQSA-N 2 0 225.292 -1.340 20 0 BAADRP CC[NH+](CC)CCNc1nc(N)[nH+]c(N)n1 ZINC000623788047 362980621 /nfs/dbraw/zinc/98/06/21/362980621.db2.gz MNFXFEWCEPUGJQ-UHFFFAOYSA-N 2 0 225.300 -1.128 20 0 BAADRP C[NH+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623789262 371095310 /nfs/dbraw/zinc/09/53/10/371095310.db2.gz MROWRDWDUOKLSH-UHFFFAOYSA-N 2 0 211.273 -1.518 20 0 BAADRP C[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623792136 371096726 /nfs/dbraw/zinc/09/67/26/371096726.db2.gz IIDZNBSSEDFOLU-UHFFFAOYSA-N 2 0 223.284 -1.161 20 0 BAADRP C[NH+](C)C(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000623799827 363493179 /nfs/dbraw/zinc/49/31/79/363493179.db2.gz OJLQJOXFWYZGCU-UHFFFAOYSA-N 2 0 225.300 -1.129 20 0 BAADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000623847335 371125212 /nfs/dbraw/zinc/12/52/12/371125212.db2.gz ODSPEMUJKHMMLN-RXMQYKEDSA-N 2 0 211.273 -1.519 20 0 BAADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000623847336 371125985 /nfs/dbraw/zinc/12/59/85/371125985.db2.gz ODSPEMUJKHMMLN-YFKPBYRVSA-N 2 0 211.273 -1.519 20 0 BAADRP Nc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(N)[nH+]1 ZINC000623879348 371138665 /nfs/dbraw/zinc/13/86/65/371138665.db2.gz DXZSXSRSRJXPII-OLQVQODUSA-N 2 0 221.268 -1.648 20 0 BAADRP Nc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(N)[nH+]1 ZINC000623879349 371138809 /nfs/dbraw/zinc/13/88/09/371138809.db2.gz DXZSXSRSRJXPII-PHDIDXHHSA-N 2 0 221.268 -1.648 20 0 BAADRP Nc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(N)[nH+]1 ZINC000623879350 371139085 /nfs/dbraw/zinc/13/90/85/371139085.db2.gz DXZSXSRSRJXPII-WDSKDSINSA-N 2 0 221.268 -1.648 20 0 BAADRP C[N@H+](CCNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000623889509 371141498 /nfs/dbraw/zinc/14/14/98/371141498.db2.gz OMVGDHABOFDJGV-UHFFFAOYSA-N 2 0 223.284 -1.375 20 0 BAADRP Nc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000623891844 371143046 /nfs/dbraw/zinc/14/30/46/371143046.db2.gz XEBLHFMHOCLGMI-LURJTMIESA-N 2 0 235.295 -1.233 20 0 BAADRP Nc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000623891845 371143115 /nfs/dbraw/zinc/14/31/15/371143115.db2.gz XEBLHFMHOCLGMI-ZCFIWIBFSA-N 2 0 235.295 -1.233 20 0 BAADRP C[N@@H+]1CCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623893506 354247415 /nfs/dbraw/zinc/24/74/15/354247415.db2.gz SHRYRAKSURLHTP-LURJTMIESA-N 2 0 223.284 -1.375 20 0 BAADRP C[C@@H](CC[NH+](C)C)Nc1nc(N)[nH+]c(N)n1 ZINC000623901234 371146717 /nfs/dbraw/zinc/14/67/17/371146717.db2.gz BXCLNYIMRXAWBW-LURJTMIESA-N 2 0 225.300 -1.129 20 0 BAADRP C[C@H](CC[NH+](C)C)Nc1nc(N)[nH+]c(N)n1 ZINC000623901235 371147346 /nfs/dbraw/zinc/14/73/46/371147346.db2.gz BXCLNYIMRXAWBW-ZCFIWIBFSA-N 2 0 225.300 -1.129 20 0 BAADRP C[NH+]1CCC(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623925546 356812457 /nfs/dbraw/zinc/81/24/57/356812457.db2.gz IMSBYFMUWKYNGF-UHFFFAOYSA-N 2 0 237.311 -1.128 20 0 BAADRP CC(C)[N@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623927595 356865524 /nfs/dbraw/zinc/86/55/24/356865524.db2.gz NLYGVQYQWYUBAV-UHFFFAOYSA-N 2 0 225.300 -1.129 20 0 BAADRP CC(C)(C)[NH2+]CCNc1nc(N)[nH+]c(N)n1 ZINC000623932553 356914456 /nfs/dbraw/zinc/91/44/56/356914456.db2.gz SVMVNPIFAJTUEZ-UHFFFAOYSA-N 2 0 225.300 -1.081 20 0 BAADRP C[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623936800 371165759 /nfs/dbraw/zinc/16/57/59/371165759.db2.gz KDVSRSGGLSRLJD-LURJTMIESA-N 2 0 223.284 -1.518 20 0 BAADRP C[N@@H+]1CC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623936801 371165250 /nfs/dbraw/zinc/16/52/50/371165250.db2.gz KDVSRSGGLSRLJD-ZCFIWIBFSA-N 2 0 223.284 -1.518 20 0 BAADRP C[NH+](C)[C@H](CNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000623942303 371170514 /nfs/dbraw/zinc/17/05/14/371170514.db2.gz FPCRXCANXUGDOK-SSDOTTSWSA-N 2 0 237.311 -1.129 20 0 BAADRP C[NH+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000623942304 371170426 /nfs/dbraw/zinc/17/04/26/371170426.db2.gz FPCRXCANXUGDOK-ZETCQYMHSA-N 2 0 237.311 -1.129 20 0 BAADRP C[N@@H+]1CCC[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623955819 371195694 /nfs/dbraw/zinc/19/56/94/371195694.db2.gz LFOXBCFBXNFUHH-SSDOTTSWSA-N 2 0 237.311 -1.128 20 0 BAADRP C[N@@H+]1CCC[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623955820 371195851 /nfs/dbraw/zinc/19/58/51/371195851.db2.gz LFOXBCFBXNFUHH-ZETCQYMHSA-N 2 0 237.311 -1.128 20 0 BAADRP COC[C@](C)([NH3+])CNc1nc(N)[nH+]c(N)n1 ZINC000623972109 371208128 /nfs/dbraw/zinc/20/81/28/371208128.db2.gz RRFYCKAKLNCDMR-MRVPVSSYSA-N 2 0 227.272 -2.106 20 0 BAADRP COC[C@@](C)([NH3+])CNc1nc(N)[nH+]c(N)n1 ZINC000623972110 371207657 /nfs/dbraw/zinc/20/76/57/371207657.db2.gz RRFYCKAKLNCDMR-QMMMGPOBSA-N 2 0 227.272 -2.106 20 0 BAADRP C[NH2+]C(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000624058133 343750010 /nfs/dbraw/zinc/75/00/10/343750010.db2.gz JZRQMPQEPGPGRC-UHFFFAOYSA-N 2 0 211.273 -1.471 20 0 BAADRP C[NH+](C)C[C@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000624059892 371285174 /nfs/dbraw/zinc/28/51/74/371285174.db2.gz IOTXOUXVFOSBOY-SECBINFHSA-N 2 0 241.299 -2.157 20 0 BAADRP C[NH+](C)C[C@@](C)(O)CNc1nc(N)[nH+]c(N)n1 ZINC000624059893 371285004 /nfs/dbraw/zinc/28/50/04/371285004.db2.gz IOTXOUXVFOSBOY-VIFPVBQESA-N 2 0 241.299 -2.157 20 0 BAADRP C[NH+](C)C1CN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624073275 371292428 /nfs/dbraw/zinc/29/24/28/371292428.db2.gz UULSZPUZKZYRRV-UHFFFAOYSA-N 2 0 209.257 -1.553 20 0 BAADRP C[N@H+]1CC=C(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000624085946 371297974 /nfs/dbraw/zinc/29/79/74/371297974.db2.gz KVPMWHJOWJNCEM-UHFFFAOYSA-N 2 0 235.295 -1.208 20 0 BAADRP C[NH+](C)CCOCCNc1nc(N)[nH+]c(N)n1 ZINC000624087027 371299277 /nfs/dbraw/zinc/29/92/77/371299277.db2.gz DMPXZLALGFCRFR-UHFFFAOYSA-N 2 0 241.299 -1.891 20 0 BAADRP C[N@@H+]1CC[C@@](O)(CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624103785 371309824 /nfs/dbraw/zinc/30/98/24/371309824.db2.gz NQXXQEDFVIMXRP-SECBINFHSA-N 2 0 239.283 -2.403 20 0 BAADRP C[N@@H+]1CC[C@](O)(CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624103786 371309106 /nfs/dbraw/zinc/30/91/06/371309106.db2.gz NQXXQEDFVIMXRP-VIFPVBQESA-N 2 0 239.283 -2.403 20 0 BAADRP Nc1nc(N2CC[NH+]3CCC2CC3)nc(N)[nH+]1 ZINC000624149903 371347372 /nfs/dbraw/zinc/34/73/72/371347372.db2.gz BVNCJTRIGGFPCB-UHFFFAOYSA-N 2 0 235.295 -1.019 20 0 BAADRP C[N@H+]1C[C@H]2CN(c3nc(N)[nH+]c(N)n3)C[C@H]2C1 ZINC000624164318 371358888 /nfs/dbraw/zinc/35/88/88/371358888.db2.gz FUQVYECQRWBVPL-KNVOCYPGSA-N 2 0 235.295 -1.305 20 0 BAADRP C[NH+](C)C[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624220815 371410234 /nfs/dbraw/zinc/41/02/34/371410234.db2.gz FQMDUARUXDLYAN-RXMQYKEDSA-N 2 0 227.272 -2.547 20 0 BAADRP C[NH+](C)C[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624220816 371409814 /nfs/dbraw/zinc/40/98/14/371409814.db2.gz FQMDUARUXDLYAN-YFKPBYRVSA-N 2 0 227.272 -2.547 20 0 BAADRP C[C@@H](C[NH+](C)C)Nc1nc(N)[nH+]c(N)n1 ZINC000624221273 371409874 /nfs/dbraw/zinc/40/98/74/371409874.db2.gz UKHIVGHRBUVZEH-YFKPBYRVSA-N 2 0 211.273 -1.519 20 0 BAADRP C[NH+](C)[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1O ZINC000624234276 371421345 /nfs/dbraw/zinc/42/13/45/371421345.db2.gz HSHUWGCUSPOHNX-WDSKDSINSA-N 2 0 239.283 -2.192 20 0 BAADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)C[NH+](C)C ZINC000624238116 371426048 /nfs/dbraw/zinc/42/60/48/371426048.db2.gz LCFWTNMVXWWZHD-LURJTMIESA-N 2 0 225.300 -1.272 20 0 BAADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)C[NH+](C)C ZINC000624238117 371426384 /nfs/dbraw/zinc/42/63/84/371426384.db2.gz LCFWTNMVXWWZHD-ZCFIWIBFSA-N 2 0 225.300 -1.272 20 0 BAADRP C[NH2+]C1(CNc2nc(N)[nH+]c(N)n2)CCC1 ZINC000624250238 371434927 /nfs/dbraw/zinc/43/49/27/371434927.db2.gz MCXSKOXUOMCLGY-UHFFFAOYSA-N 2 0 223.284 -1.327 20 0 BAADRP C[NH+](C)[C@@H]1[C@H]2CN(c3nc(N)[nH+]c(N)n3)C[C@H]21 ZINC000624257455 343620343 /nfs/dbraw/zinc/62/03/43/343620343.db2.gz DJFQRXJOQKOSPF-ZMONIFLSSA-N 2 0 235.295 -1.307 20 0 BAADRP C[NH+](C)C1(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000624286043 371457750 /nfs/dbraw/zinc/45/77/50/371457750.db2.gz GWDXJAIRKNKWLT-UHFFFAOYSA-N 2 0 223.284 -1.375 20 0 BAADRP CS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000624368027 371493901 /nfs/dbraw/zinc/49/39/01/371493901.db2.gz BRMICSOFPDQQDL-UHFFFAOYSA-N 2 0 209.315 -1.054 20 0 BAADRP C[NH+](C)[C@H]1C[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000624373235 371495072 /nfs/dbraw/zinc/49/50/72/371495072.db2.gz HZBMYDPLGURJHZ-KNVOCYPGSA-N 2 0 237.311 -1.129 20 0 BAADRP C[C@@H](CCNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000624391745 371498376 /nfs/dbraw/zinc/49/83/76/371498376.db2.gz CHMKMWPRVGDFSB-LURJTMIESA-N 2 0 225.300 -1.129 20 0 BAADRP C[C@H](CCNc1nc(N)[nH+]c(N)n1)[NH+](C)C ZINC000624391746 371497793 /nfs/dbraw/zinc/49/77/93/371497793.db2.gz CHMKMWPRVGDFSB-ZCFIWIBFSA-N 2 0 225.300 -1.129 20 0 BAADRP Nc1nc(NCC[N@@H+]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000624679203 342818466 /nfs/dbraw/zinc/81/84/66/342818466.db2.gz KPZZYIYEIHMPIY-ZCFIWIBFSA-N 2 0 239.283 -2.403 20 0 BAADRP Nc1nc(NCC[N@@H+]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000624778775 342828147 /nfs/dbraw/zinc/82/81/47/342828147.db2.gz KPZZYIYEIHMPIY-LURJTMIESA-N 2 0 239.283 -2.403 20 0 BAADRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000625713443 344051192 /nfs/dbraw/zinc/05/11/92/344051192.db2.gz DQUXCVNWJSOJOT-VWYCJHECSA-N 2 0 232.324 -1.275 20 0 BAADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000625713468 344051371 /nfs/dbraw/zinc/05/13/71/344051371.db2.gz FTRJYGLIJBYDBH-UTLUCORTSA-N 2 0 218.297 -1.664 20 0 BAADRP C[NH2+]CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627061120 363178225 /nfs/dbraw/zinc/17/82/25/363178225.db2.gz JUINRPRIIGJZBQ-JTQLQIEISA-N 2 0 244.339 -1.038 20 0 BAADRP C[NH2+]CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627062527 363180613 /nfs/dbraw/zinc/18/06/13/363180613.db2.gz JUINRPRIIGJZBQ-SNVBAGLBSA-N 2 0 244.339 -1.038 20 0 BAADRP C[NH2+]CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627062896 363181198 /nfs/dbraw/zinc/18/11/98/363181198.db2.gz NLIVCPQBOYUGPQ-SECBINFHSA-N 2 0 230.312 -1.117 20 0 BAADRP C[NH2+]CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627062897 363181396 /nfs/dbraw/zinc/18/13/96/363181396.db2.gz NLIVCPQBOYUGPQ-VIFPVBQESA-N 2 0 230.312 -1.117 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000627066233 363193011 /nfs/dbraw/zinc/19/30/11/363193011.db2.gz KEZQIRLODFMKAW-SNVBAGLBSA-N 2 0 241.339 -1.447 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)NCC[NH3+] ZINC000627066837 363193036 /nfs/dbraw/zinc/19/30/36/363193036.db2.gz SJZISIVFQXUHOF-UHFFFAOYSA-N 2 0 218.301 -1.178 20 0 BAADRP C[NH2+]CCOCCNC(=O)NCC[NH3+] ZINC000627066838 363192618 /nfs/dbraw/zinc/19/26/18/363192618.db2.gz SLCNFNICOQQAIG-UHFFFAOYSA-N 2 0 204.274 -1.520 20 0 BAADRP CCN(CC[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000627066927 363193985 /nfs/dbraw/zinc/19/39/85/363193985.db2.gz ZPUXJSYZGIMTKM-UHFFFAOYSA-N 2 0 243.355 -1.118 20 0 BAADRP C[NH2+]CCOCCNC(=O)NCCC[NH3+] ZINC000627068127 363199472 /nfs/dbraw/zinc/19/94/72/363199472.db2.gz GRYXLRNMEYJGSI-UHFFFAOYSA-N 2 0 218.301 -1.130 20 0 BAADRP C[NH2+]CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627071136 363200205 /nfs/dbraw/zinc/20/02/05/363200205.db2.gz CXGMSXNDCFVUAF-MRVPVSSYSA-N 2 0 216.285 -1.507 20 0 BAADRP C[NH2+]CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627071137 363200227 /nfs/dbraw/zinc/20/02/27/363200227.db2.gz CXGMSXNDCFVUAF-QMMMGPOBSA-N 2 0 216.285 -1.507 20 0 BAADRP C[NH2+]CCNC(=O)NCCOCCC[NH3+] ZINC000627071277 363201092 /nfs/dbraw/zinc/20/10/92/363201092.db2.gz FGXLBGPVIDJQGO-UHFFFAOYSA-N 2 0 218.301 -1.130 20 0 BAADRP C[NH2+]CCNC(=O)N(C)CCOCC[NH3+] ZINC000627071296 363201270 /nfs/dbraw/zinc/20/12/70/363201270.db2.gz FOTUTQJQFBMBLJ-UHFFFAOYSA-N 2 0 218.301 -1.178 20 0 BAADRP CN(CCOCC[NH3+])C(=O)NCCC[NH3+] ZINC000627071539 363203675 /nfs/dbraw/zinc/20/36/75/363203675.db2.gz RTACCDYGIFOSAW-UHFFFAOYSA-N 2 0 218.301 -1.048 20 0 BAADRP C[NH2+]CCNC(=O)NCCOCC[NH2+]C ZINC000627071560 363203672 /nfs/dbraw/zinc/20/36/72/363203672.db2.gz GYUMBZVLYXMXGA-UHFFFAOYSA-N 2 0 218.301 -1.259 20 0 BAADRP C[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627071637 363203742 /nfs/dbraw/zinc/20/37/42/363203742.db2.gz JCBKTBVOAZZEED-SECBINFHSA-N 2 0 230.312 -1.428 20 0 BAADRP C[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627071638 363203643 /nfs/dbraw/zinc/20/36/43/363203643.db2.gz JCBKTBVOAZZEED-VIFPVBQESA-N 2 0 230.312 -1.428 20 0 BAADRP [NH3+]CCCNC(=O)NCCOCCC[NH3+] ZINC000627072055 363202852 /nfs/dbraw/zinc/20/28/52/363202852.db2.gz YEOWNCSLWQIXQZ-UHFFFAOYSA-N 2 0 218.301 -1.000 20 0 BAADRP [NH3+]CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627072087 363202899 /nfs/dbraw/zinc/20/28/99/363202899.db2.gz YXSZJDZKGWUSEB-SECBINFHSA-N 2 0 230.312 -1.299 20 0 BAADRP [NH3+]CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627072088 363202880 /nfs/dbraw/zinc/20/28/80/363202880.db2.gz YXSZJDZKGWUSEB-VIFPVBQESA-N 2 0 230.312 -1.299 20 0 BAADRP CC[NH2+]CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627072155 363202932 /nfs/dbraw/zinc/20/29/32/363202932.db2.gz PKMMULXUCIQXCR-SECBINFHSA-N 2 0 230.312 -1.117 20 0 BAADRP CC[NH2+]CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627072156 363203034 /nfs/dbraw/zinc/20/30/34/363203034.db2.gz PKMMULXUCIQXCR-VIFPVBQESA-N 2 0 230.312 -1.117 20 0 BAADRP CC[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627072206 487606784 /nfs/dbraw/zinc/60/67/84/487606784.db2.gz RBRFJHYUALDEIF-JTQLQIEISA-N 2 0 244.339 -1.038 20 0 BAADRP CC[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627072207 487607081 /nfs/dbraw/zinc/60/70/81/487607081.db2.gz RBRFJHYUALDEIF-SNVBAGLBSA-N 2 0 244.339 -1.038 20 0 BAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CC[NH2+]C1 ZINC000627075278 363214549 /nfs/dbraw/zinc/21/45/49/363214549.db2.gz MJFKZDFVKOTEQS-NXEZZACHSA-N 2 0 242.323 -1.286 20 0 BAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CC[NH2+]C1 ZINC000627075282 363214111 /nfs/dbraw/zinc/21/41/11/363214111.db2.gz MJFKZDFVKOTEQS-UWVGGRQHSA-N 2 0 242.323 -1.286 20 0 BAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CC[NH2+]C1 ZINC000627075285 363214216 /nfs/dbraw/zinc/21/42/16/363214216.db2.gz MJFKZDFVKOTEQS-VHSXEESVSA-N 2 0 242.323 -1.286 20 0 BAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CC[NH2+]C1 ZINC000627075287 363214574 /nfs/dbraw/zinc/21/45/74/363214574.db2.gz MJFKZDFVKOTEQS-ZJUUUORDSA-N 2 0 242.323 -1.286 20 0 BAADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627076229 363216752 /nfs/dbraw/zinc/21/67/52/363216752.db2.gz UMZWYQLZFDGZIZ-SECBINFHSA-N 2 0 230.312 -1.117 20 0 BAADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000627076230 363216985 /nfs/dbraw/zinc/21/69/85/363216985.db2.gz UMZWYQLZFDGZIZ-VIFPVBQESA-N 2 0 230.312 -1.117 20 0 BAADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627076293 363216443 /nfs/dbraw/zinc/21/64/43/363216443.db2.gz VFJJPUQAWJHVAW-SECBINFHSA-N 2 0 230.312 -1.035 20 0 BAADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000627076294 363216928 /nfs/dbraw/zinc/21/69/28/363216928.db2.gz VFJJPUQAWJHVAW-VIFPVBQESA-N 2 0 230.312 -1.035 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627080451 363225631 /nfs/dbraw/zinc/22/56/31/363225631.db2.gz AEIPAZSHCZCBFA-NXEZZACHSA-N 2 0 244.339 -1.053 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627080454 363225821 /nfs/dbraw/zinc/22/58/21/363225821.db2.gz AEIPAZSHCZCBFA-UWVGGRQHSA-N 2 0 244.339 -1.053 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627080455 363225973 /nfs/dbraw/zinc/22/59/73/363225973.db2.gz AEIPAZSHCZCBFA-VHSXEESVSA-N 2 0 244.339 -1.053 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627080457 363226082 /nfs/dbraw/zinc/22/60/82/363226082.db2.gz AEIPAZSHCZCBFA-ZJUUUORDSA-N 2 0 244.339 -1.053 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627080731 363226038 /nfs/dbraw/zinc/22/60/38/363226038.db2.gz GHYCVWRJCWFFKC-BDAKNGLRSA-N 2 0 230.312 -1.131 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627080732 363226213 /nfs/dbraw/zinc/22/62/13/363226213.db2.gz GHYCVWRJCWFFKC-DTWKUNHWSA-N 2 0 230.312 -1.131 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627080733 363225621 /nfs/dbraw/zinc/22/56/21/363225621.db2.gz GHYCVWRJCWFFKC-IUCAKERBSA-N 2 0 230.312 -1.131 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627080734 363226136 /nfs/dbraw/zinc/22/61/36/363226136.db2.gz GHYCVWRJCWFFKC-RKDXNWHRSA-N 2 0 230.312 -1.131 20 0 BAADRP CN1CCOC[C@@H]1CNC(=O)NCC1C[NH2+]C1 ZINC000627083116 363232117 /nfs/dbraw/zinc/23/21/17/363232117.db2.gz PYEMNTFZOKDCIZ-JTQLQIEISA-N 2 0 242.323 -1.164 20 0 BAADRP CN1CCOC[C@H]1CNC(=O)NCC1C[NH2+]C1 ZINC000627083117 363232320 /nfs/dbraw/zinc/23/23/20/363232320.db2.gz PYEMNTFZOKDCIZ-SNVBAGLBSA-N 2 0 242.323 -1.164 20 0 BAADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627083419 363232739 /nfs/dbraw/zinc/23/27/39/363232739.db2.gz TUERERNIAGNTRK-SECBINFHSA-N 2 0 230.312 -1.117 20 0 BAADRP C[C@H](C[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627084428 363235109 /nfs/dbraw/zinc/23/51/09/363235109.db2.gz ANDKGFTUWWTKRX-MRVPVSSYSA-N 2 0 218.301 -1.050 20 0 BAADRP C[C@H](C[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627084472 363236581 /nfs/dbraw/zinc/23/65/81/363236581.db2.gz BIYFZPCCVFQZAT-MRVPVSSYSA-N 2 0 218.301 -1.002 20 0 BAADRP C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627085024 363236587 /nfs/dbraw/zinc/23/65/87/363236587.db2.gz HBBUUYLLIHJXRN-BDAKNGLRSA-N 2 0 230.312 -1.301 20 0 BAADRP C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627085025 363236711 /nfs/dbraw/zinc/23/67/11/363236711.db2.gz HBBUUYLLIHJXRN-RKDXNWHRSA-N 2 0 230.312 -1.301 20 0 BAADRP C[NH2+]CCOCCNC(=O)N[C@H](C)C[NH3+] ZINC000627085054 363236056 /nfs/dbraw/zinc/23/60/56/363236056.db2.gz SGHLGWVAGNCHNQ-MRVPVSSYSA-N 2 0 218.301 -1.131 20 0 BAADRP C[C@H](C[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627085619 363239014 /nfs/dbraw/zinc/23/90/14/363239014.db2.gz RFXVUOWJTMFOHG-HTQZYQBOSA-N 2 0 216.285 -1.379 20 0 BAADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627085620 363238773 /nfs/dbraw/zinc/23/87/73/363238773.db2.gz RFXVUOWJTMFOHG-SFYZADRCSA-N 2 0 216.285 -1.379 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627088109 363241409 /nfs/dbraw/zinc/24/14/09/363241409.db2.gz FPIYDMGAENHVHE-HTQZYQBOSA-N 2 0 216.285 -1.379 20 0 BAADRP C[C@H]([NH3+])CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627088110 363241474 /nfs/dbraw/zinc/24/14/74/363241474.db2.gz FPIYDMGAENHVHE-JGVFFNPUSA-N 2 0 216.285 -1.379 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627088111 363241240 /nfs/dbraw/zinc/24/12/40/363241240.db2.gz FPIYDMGAENHVHE-SFYZADRCSA-N 2 0 216.285 -1.379 20 0 BAADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627088112 363241280 /nfs/dbraw/zinc/24/12/80/363241280.db2.gz FPIYDMGAENHVHE-YUMQZZPRSA-N 2 0 216.285 -1.379 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627088167 363241138 /nfs/dbraw/zinc/24/11/38/363241138.db2.gz GGSCYMXKMGYZGQ-MRVPVSSYSA-N 2 0 218.301 -1.002 20 0 BAADRP C[C@H]([NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627088168 363241125 /nfs/dbraw/zinc/24/11/25/363241125.db2.gz GGSCYMXKMGYZGQ-QMMMGPOBSA-N 2 0 218.301 -1.002 20 0 BAADRP C[NH2+]CCOCCNC(=O)NC[C@@H](C)[NH3+] ZINC000627088863 363242720 /nfs/dbraw/zinc/24/27/20/363242720.db2.gz KAKPKPXXRRNXTL-MRVPVSSYSA-N 2 0 218.301 -1.131 20 0 BAADRP C[NH2+]CCOCCNC(=O)NC[C@H](C)[NH3+] ZINC000627088864 363242575 /nfs/dbraw/zinc/24/25/75/363242575.db2.gz KAKPKPXXRRNXTL-QMMMGPOBSA-N 2 0 218.301 -1.131 20 0 BAADRP C[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627089284 363242206 /nfs/dbraw/zinc/24/22/06/363242206.db2.gz LWQOHQBYSMJCST-DTWKUNHWSA-N 2 0 230.312 -1.301 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627089285 363242296 /nfs/dbraw/zinc/24/22/96/363242296.db2.gz LWQOHQBYSMJCST-RKDXNWHRSA-N 2 0 230.312 -1.301 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627090538 363243311 /nfs/dbraw/zinc/24/33/11/363243311.db2.gz WXJXKSJFUGYAJL-MRVPVSSYSA-N 2 0 218.301 -1.050 20 0 BAADRP C[C@H]([NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627090539 363243437 /nfs/dbraw/zinc/24/34/37/363243437.db2.gz WXJXKSJFUGYAJL-QMMMGPOBSA-N 2 0 218.301 -1.050 20 0 BAADRP [NH3+]C/C=C\CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627093535 363249766 /nfs/dbraw/zinc/24/97/66/363249766.db2.gz MOZUJDPKKDKEKG-JWXWKVPASA-N 2 0 242.323 -1.133 20 0 BAADRP [NH3+]C/C=C\CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627093536 363249067 /nfs/dbraw/zinc/24/90/67/363249067.db2.gz MOZUJDPKKDKEKG-SYBPUXJVSA-N 2 0 242.323 -1.133 20 0 BAADRP [NH3+]C/C=C/CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627093537 363248889 /nfs/dbraw/zinc/24/88/89/363248889.db2.gz MOZUJDPKKDKEKG-TXXBHVLJSA-N 2 0 242.323 -1.133 20 0 BAADRP [NH3+]C/C=C/CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627093538 363249020 /nfs/dbraw/zinc/24/90/20/363249020.db2.gz MOZUJDPKKDKEKG-YOLVWIGZSA-N 2 0 242.323 -1.133 20 0 BAADRP [NH3+]CCCOCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094483 363250749 /nfs/dbraw/zinc/25/07/49/363250749.db2.gz BLDWSELULRICNK-MYJAWHEDSA-N 2 0 242.323 -1.131 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[NH2+]C1 ZINC000627094571 363253521 /nfs/dbraw/zinc/25/35/21/363253521.db2.gz FTVSKNVPJAGCJI-HXFLIBJXSA-N 2 0 210.281 -1.135 20 0 BAADRP C[NH2+]CCOCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094771 363254279 /nfs/dbraw/zinc/25/42/79/363254279.db2.gz LMKJXANVOCYONN-MYJAWHEDSA-N 2 0 242.323 -1.261 20 0 BAADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627095144 363254383 /nfs/dbraw/zinc/25/43/83/363254383.db2.gz VRUSGOCWKQWMFD-MYJAWHEDSA-N 2 0 242.323 -1.179 20 0 BAADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627102496 363261875 /nfs/dbraw/zinc/26/18/75/363261875.db2.gz NDPKTDJCNIPSNH-SECBINFHSA-N 2 0 230.312 -1.035 20 0 BAADRP CCN(CC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627102497 363261479 /nfs/dbraw/zinc/26/14/79/363261479.db2.gz NDPKTDJCNIPSNH-VIFPVBQESA-N 2 0 230.312 -1.035 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C1 ZINC000627103490 363261297 /nfs/dbraw/zinc/26/12/97/363261297.db2.gz KINYDAGHZYUMPU-BDAKNGLRSA-N 2 0 228.296 -1.364 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C1 ZINC000627103491 363261604 /nfs/dbraw/zinc/26/16/04/363261604.db2.gz KINYDAGHZYUMPU-RKDXNWHRSA-N 2 0 228.296 -1.364 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627118561 363285527 /nfs/dbraw/zinc/28/55/27/363285527.db2.gz DKWBJFSOYPONRW-BDAKNGLRSA-N 2 0 230.312 -1.118 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627118562 363285696 /nfs/dbraw/zinc/28/56/96/363285696.db2.gz DKWBJFSOYPONRW-DTWKUNHWSA-N 2 0 230.312 -1.118 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627118563 363285488 /nfs/dbraw/zinc/28/54/88/363285488.db2.gz DKWBJFSOYPONRW-IUCAKERBSA-N 2 0 230.312 -1.118 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627118564 363285680 /nfs/dbraw/zinc/28/56/80/363285680.db2.gz DKWBJFSOYPONRW-RKDXNWHRSA-N 2 0 230.312 -1.118 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627118578 363285939 /nfs/dbraw/zinc/28/59/39/363285939.db2.gz DUERHDPLBGOYME-NXEZZACHSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627118579 363285551 /nfs/dbraw/zinc/28/55/51/363285551.db2.gz DUERHDPLBGOYME-UWVGGRQHSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627118580 363285395 /nfs/dbraw/zinc/28/53/95/363285395.db2.gz DUERHDPLBGOYME-VHSXEESVSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627118581 363285265 /nfs/dbraw/zinc/28/52/65/363285265.db2.gz DUERHDPLBGOYME-ZJUUUORDSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627170869 363418077 /nfs/dbraw/zinc/41/80/77/363418077.db2.gz JKIHEAOWQRFRRJ-VIFPVBQESA-N 2 0 230.312 -1.035 20 0 BAADRP C[NH2+]CCOCCNC(=O)N(C)CC[NH3+] ZINC000627171569 363418749 /nfs/dbraw/zinc/41/87/49/363418749.db2.gz ZBLSTRCRFCOQKS-UHFFFAOYSA-N 2 0 218.301 -1.178 20 0 BAADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]CC1 ZINC000627171685 363417956 /nfs/dbraw/zinc/41/79/56/363417956.db2.gz GUQKPGHUBFNKDJ-UHFFFAOYSA-N 2 0 230.312 -1.163 20 0 BAADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627171826 363418027 /nfs/dbraw/zinc/41/80/27/363418027.db2.gz JKIHEAOWQRFRRJ-SECBINFHSA-N 2 0 230.312 -1.035 20 0 BAADRP C[NH+](C)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187567 363444227 /nfs/dbraw/zinc/44/42/27/363444227.db2.gz IOVMCRNGINFCMJ-SECBINFHSA-N 2 0 230.312 -1.164 20 0 BAADRP C[NH+](C)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187568 363443754 /nfs/dbraw/zinc/44/37/54/363443754.db2.gz IOVMCRNGINFCMJ-VIFPVBQESA-N 2 0 230.312 -1.164 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190461 363449700 /nfs/dbraw/zinc/44/97/00/363449700.db2.gz MQNRLGNXLONWRK-BDAKNGLRSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190462 363450294 /nfs/dbraw/zinc/45/02/94/363450294.db2.gz MQNRLGNXLONWRK-DTWKUNHWSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190463 363449445 /nfs/dbraw/zinc/44/94/45/363449445.db2.gz MQNRLGNXLONWRK-IUCAKERBSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190464 363449711 /nfs/dbraw/zinc/44/97/11/363449711.db2.gz MQNRLGNXLONWRK-RKDXNWHRSA-N 2 0 230.312 -1.037 20 0 BAADRP CN(CCC[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190617 363449892 /nfs/dbraw/zinc/44/98/92/363449892.db2.gz PVJJGYKSRMNPTG-SECBINFHSA-N 2 0 230.312 -1.035 20 0 BAADRP CN(CCC[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190618 363449822 /nfs/dbraw/zinc/44/98/22/363449822.db2.gz PVJJGYKSRMNPTG-VIFPVBQESA-N 2 0 230.312 -1.035 20 0 BAADRP CCN(CC[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627191916 363452788 /nfs/dbraw/zinc/45/27/88/363452788.db2.gz XBMUFMWWGQKSRE-SECBINFHSA-N 2 0 230.312 -1.035 20 0 BAADRP CCN(CC[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627191917 363452861 /nfs/dbraw/zinc/45/28/61/363452861.db2.gz XBMUFMWWGQKSRE-VIFPVBQESA-N 2 0 230.312 -1.035 20 0 BAADRP [NH3+]CCCOCCNC(=O)N1CC[NH2+]CC1 ZINC000627218730 363517030 /nfs/dbraw/zinc/51/70/30/363517030.db2.gz FKJAMGCGWXBRMF-UHFFFAOYSA-N 2 0 230.312 -1.033 20 0 BAADRP CN(CC[NH3+])C(=O)NCCOCCC[NH3+] ZINC000627219227 363516895 /nfs/dbraw/zinc/51/68/95/363516895.db2.gz SSRXUFTUZYSYLX-UHFFFAOYSA-N 2 0 218.301 -1.048 20 0 BAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249574 363861021 /nfs/dbraw/zinc/86/10/21/363861021.db2.gz RRYAUFCPPLRDLG-KOLCDFICSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249575 363860957 /nfs/dbraw/zinc/86/09/57/363860957.db2.gz RRYAUFCPPLRDLG-MWLCHTKSSA-N 2 0 244.339 -1.040 20 0 BAADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627250046 363863913 /nfs/dbraw/zinc/86/39/13/363863913.db2.gz SRXQFPIQTPMAGY-KOLCDFICSA-N 2 0 242.323 -1.286 20 0 BAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627250047 363864014 /nfs/dbraw/zinc/86/40/14/363864014.db2.gz SRXQFPIQTPMAGY-MWLCHTKSSA-N 2 0 242.323 -1.286 20 0 BAADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250165 363863865 /nfs/dbraw/zinc/86/38/65/363863865.db2.gz ZJPPEGPVTJTISA-SNVBAGLBSA-N 2 0 244.339 -1.038 20 0 BAADRP CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000627252125 363876325 /nfs/dbraw/zinc/87/63/25/363876325.db2.gz LOLDRQRFUGVYEU-NXEZZACHSA-N 2 0 241.339 -1.367 20 0 BAADRP CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000627252126 363876375 /nfs/dbraw/zinc/87/63/75/363876375.db2.gz LOLDRQRFUGVYEU-ZJUUUORDSA-N 2 0 241.339 -1.367 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627252160 363878039 /nfs/dbraw/zinc/87/80/39/363878039.db2.gz MXEWSIZUJMDMPT-BDAKNGLRSA-N 2 0 228.296 -1.283 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627252161 363878114 /nfs/dbraw/zinc/87/81/14/363878114.db2.gz MXEWSIZUJMDMPT-RKDXNWHRSA-N 2 0 228.296 -1.283 20 0 BAADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505725 371667711 /nfs/dbraw/zinc/66/77/11/371667711.db2.gz BLQWSQDYWNHJTJ-SECBINFHSA-N 2 0 242.323 -1.516 20 0 BAADRP C[N@H+](CCOCC[NH3+])[C@@H]1CCNC1=O ZINC000629576737 361468359 /nfs/dbraw/zinc/46/83/59/361468359.db2.gz CHSQBNRPZUVEQA-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP C[N@H+](CCOCC[NH3+])[C@H]1CCNC1=O ZINC000629576748 361468391 /nfs/dbraw/zinc/46/83/91/361468391.db2.gz CHSQBNRPZUVEQA-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP C[NH2+]C[C@](C)(O)CN(C)CCOCC[NH3+] ZINC000629581364 361470541 /nfs/dbraw/zinc/47/05/41/361470541.db2.gz YCKNANDMNSPGEQ-JTQLQIEISA-N 2 0 219.329 -1.136 20 0 BAADRP C[NH2+]C[C@@](C)(O)CN(C)CCOCC[NH3+] ZINC000629581365 361471375 /nfs/dbraw/zinc/47/13/75/361471375.db2.gz YCKNANDMNSPGEQ-SNVBAGLBSA-N 2 0 219.329 -1.136 20 0 BAADRP CN(CCOCC[NH3+])C[C@@H]1C[NH2+]CCO1 ZINC000629581410 361470929 /nfs/dbraw/zinc/47/09/29/361470929.db2.gz ZUEXYJLABBZONX-JTQLQIEISA-N 2 0 217.313 -1.118 20 0 BAADRP CN(CCOCC[NH3+])C[C@H]1C[NH2+]CCO1 ZINC000629581411 361471188 /nfs/dbraw/zinc/47/11/88/361471188.db2.gz ZUEXYJLABBZONX-SNVBAGLBSA-N 2 0 217.313 -1.118 20 0 BAADRP C[NH+](C)C[C@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583305 361467713 /nfs/dbraw/zinc/46/77/13/361467713.db2.gz YLFMOWFRXJERDC-NEPJUHHUSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C)C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583306 361467576 /nfs/dbraw/zinc/46/75/76/361467576.db2.gz YLFMOWFRXJERDC-NWDGAFQWSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C)C[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000629583307 361467974 /nfs/dbraw/zinc/46/79/74/361467974.db2.gz YLFMOWFRXJERDC-RYUDHWBXSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C)C[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629583308 361467152 /nfs/dbraw/zinc/46/71/52/361467152.db2.gz YLFMOWFRXJERDC-VXGBXAGGSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C)C[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000629592849 361485208 /nfs/dbraw/zinc/48/52/08/361485208.db2.gz FFYBPPKJLPMLFC-NEPJUHHUSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C)C[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629592850 361484929 /nfs/dbraw/zinc/48/49/29/361484929.db2.gz FFYBPPKJLPMLFC-NWDGAFQWSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C)C[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000629592851 361485547 /nfs/dbraw/zinc/48/55/47/361485547.db2.gz FFYBPPKJLPMLFC-RYUDHWBXSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C)C[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629592852 361485402 /nfs/dbraw/zinc/48/54/02/361485402.db2.gz FFYBPPKJLPMLFC-VXGBXAGGSA-N 2 0 245.367 -1.045 20 0 BAADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CC[NH+](C)C ZINC000629787750 361702092 /nfs/dbraw/zinc/70/20/92/361702092.db2.gz HLMKJDAJSNDUNU-UHFFFAOYSA-N 2 0 244.339 -1.186 20 0 BAADRP O=C(CCN1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH2+]CC1 ZINC000631849113 372647545 /nfs/dbraw/zinc/64/75/45/372647545.db2.gz XIIOPUXCATYBEW-QWRGUYRKSA-N 2 0 238.335 -1.146 20 0 BAADRP C[NH+](C)CCCS(=O)(=O)NCC[NH3+] ZINC000631899887 362797148 /nfs/dbraw/zinc/79/71/48/362797148.db2.gz BCAKHMNFPGGNTG-UHFFFAOYSA-N 2 0 209.315 -1.184 20 0 BAADRP [NH3+][C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631900855 372689059 /nfs/dbraw/zinc/68/90/59/372689059.db2.gz JPXMVTBNJWIRFB-BDAKNGLRSA-N 2 0 249.336 -1.662 20 0 BAADRP [NH3+][C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631900856 372688277 /nfs/dbraw/zinc/68/82/77/372688277.db2.gz JPXMVTBNJWIRFB-RKDXNWHRSA-N 2 0 249.336 -1.662 20 0 BAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C1 ZINC000631902232 372690902 /nfs/dbraw/zinc/69/09/02/372690902.db2.gz WCBLKHVUDKKKMF-BDAKNGLRSA-N 2 0 249.336 -1.744 20 0 BAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C1 ZINC000631902233 372690524 /nfs/dbraw/zinc/69/05/24/372690524.db2.gz WCBLKHVUDKKKMF-DTWKUNHWSA-N 2 0 249.336 -1.744 20 0 BAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CC[NH2+]C1 ZINC000631902234 372690709 /nfs/dbraw/zinc/69/07/09/372690709.db2.gz WCBLKHVUDKKKMF-IUCAKERBSA-N 2 0 249.336 -1.744 20 0 BAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CC[NH2+]C1 ZINC000631902235 372690559 /nfs/dbraw/zinc/69/05/59/372690559.db2.gz WCBLKHVUDKKKMF-RKDXNWHRSA-N 2 0 249.336 -1.744 20 0 BAADRP [NH3+][C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631902478 372689906 /nfs/dbraw/zinc/68/99/06/372689906.db2.gz JPXMVTBNJWIRFB-DTWKUNHWSA-N 2 0 249.336 -1.662 20 0 BAADRP [NH3+][C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631902479 372690019 /nfs/dbraw/zinc/69/00/19/372690019.db2.gz JPXMVTBNJWIRFB-IUCAKERBSA-N 2 0 249.336 -1.662 20 0 BAADRP C[NH+](C)CCCS(=O)(=O)NC1C[NH2+]C1 ZINC000631904795 372689992 /nfs/dbraw/zinc/68/99/92/372689992.db2.gz YTIJJIHVMOBRDN-UHFFFAOYSA-N 2 0 221.326 -1.171 20 0 BAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC1C[NH2+]C1 ZINC000631904812 372690234 /nfs/dbraw/zinc/69/02/34/372690234.db2.gz ZLQMPXHUSKFGPW-UHFFFAOYSA-N 2 0 248.352 -1.524 20 0 BAADRP [NH3+][C@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631931380 372696077 /nfs/dbraw/zinc/69/60/77/372696077.db2.gz JCWZBWQRXVGSTI-CIUDSAMLSA-N 2 0 249.336 -1.616 20 0 BAADRP [NH3+][C@H]1C[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631931381 372696944 /nfs/dbraw/zinc/69/69/44/372696944.db2.gz JCWZBWQRXVGSTI-IWSPIJDZSA-N 2 0 249.336 -1.616 20 0 BAADRP [NH3+][C@H]1C[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631931870 362974485 /nfs/dbraw/zinc/97/44/85/362974485.db2.gz JCWZBWQRXVGSTI-HRDYMLBCSA-N 2 0 249.336 -1.616 20 0 BAADRP [NH3+][C@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631931875 362974493 /nfs/dbraw/zinc/97/44/93/362974493.db2.gz JCWZBWQRXVGSTI-YIZRAAEISA-N 2 0 249.336 -1.616 20 0 BAADRP CN(CC[NH3+])S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631944918 372701391 /nfs/dbraw/zinc/70/13/91/372701391.db2.gz KSKZDKMEOHSDOB-MRVPVSSYSA-N 2 0 237.325 -1.805 20 0 BAADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000634742011 344163378 /nfs/dbraw/zinc/16/33/78/344163378.db2.gz XABXYLWZLHWBLE-PHIMTYICSA-N 2 0 239.319 -1.221 20 0 BAADRP [NH3+]CC(=O)NCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768309 344280196 /nfs/dbraw/zinc/28/01/96/344280196.db2.gz DZIXZLGBUUYKIA-KCJUWKMLSA-N 2 0 240.307 -1.680 20 0 BAADRP C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+](C)C ZINC000635928371 346117720 /nfs/dbraw/zinc/11/77/20/346117720.db2.gz FITKAJISSXTPSS-BDAKNGLRSA-N 2 0 217.313 -1.025 20 0 BAADRP C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+](C)C ZINC000635928372 346117659 /nfs/dbraw/zinc/11/76/59/346117659.db2.gz FITKAJISSXTPSS-RKDXNWHRSA-N 2 0 217.313 -1.025 20 0 BAADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(N)=O ZINC000636160295 346340974 /nfs/dbraw/zinc/34/09/74/346340974.db2.gz CRXGCEXUFAJYGG-VIFPVBQESA-N 2 0 244.339 -1.140 20 0 BAADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[NH3+])C1 ZINC000637796914 351623763 /nfs/dbraw/zinc/62/37/63/351623763.db2.gz CACDGGUAJQXMIQ-APPZFPTMSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[NH3+])C1 ZINC000637796915 351624157 /nfs/dbraw/zinc/62/41/57/351624157.db2.gz CACDGGUAJQXMIQ-CBAPKCEASA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[NH3+])C1 ZINC000637796916 351624119 /nfs/dbraw/zinc/62/41/19/351624119.db2.gz CACDGGUAJQXMIQ-IONNQARKSA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[NH3+])C1 ZINC000637796917 351624121 /nfs/dbraw/zinc/62/41/21/351624121.db2.gz CACDGGUAJQXMIQ-VXNVDRBHSA-N 2 0 201.270 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/nfs/dbraw/zinc/65/22/54/351652254.db2.gz RPUWFGZUSHQBHX-VIFPVBQESA-N 2 0 242.323 -1.468 20 0 BAADRP C[C@H]([NH3+])CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637811387 351653284 /nfs/dbraw/zinc/65/32/84/351653284.db2.gz TYVYTMXFXYBLSK-VIFPVBQESA-N 2 0 242.323 -1.386 20 0 BAADRP C[C@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000637812046 351647540 /nfs/dbraw/zinc/64/75/40/351647540.db2.gz VOGANCFSRUWZHY-SNVBAGLBSA-N 2 0 228.340 -1.042 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000637812384 351648200 /nfs/dbraw/zinc/64/82/00/351648200.db2.gz RYCCCDKJLVPOOG-SECBINFHSA-N 2 0 212.297 -1.630 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000637812386 351648122 /nfs/dbraw/zinc/64/81/22/351648122.db2.gz RYCCCDKJLVPOOG-VIFPVBQESA-N 2 0 212.297 -1.630 20 0 BAADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000637812882 351649681 /nfs/dbraw/zinc/64/96/81/351649681.db2.gz ZKIUWVNDQACXCO-PSASIEDQSA-N 2 0 213.281 -1.157 20 0 BAADRP C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 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[NH3+][C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637820848 351661529 /nfs/dbraw/zinc/66/15/29/351661529.db2.gz JPRGPHRBJJOSEW-VIFPVBQESA-N 2 0 212.297 -1.549 20 0 BAADRP C[C@]1(C(=O)N2CC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000637821248 351659810 /nfs/dbraw/zinc/65/98/10/351659810.db2.gz QQLUWFPNMRAKAG-WCBMZHEXSA-N 2 0 213.281 -1.076 20 0 BAADRP C[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000637821249 351659414 /nfs/dbraw/zinc/65/94/14/351659414.db2.gz QQLUWFPNMRAKAG-WPRPVWTQSA-N 2 0 213.281 -1.076 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)CN1CC[NH2+]CC1 ZINC000637823024 351667333 /nfs/dbraw/zinc/66/73/33/351667333.db2.gz CRHUJBCLOMYUFF-VIFPVBQESA-N 2 0 214.313 -1.255 20 0 BAADRP C[NH2+]CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637823129 351668053 /nfs/dbraw/zinc/66/80/53/351668053.db2.gz BSTQKAMNPJMTID-SECBINFHSA-N 2 0 201.270 -1.300 20 0 BAADRP C[NH2+]CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637823130 351668042 /nfs/dbraw/zinc/66/80/42/351668042.db2.gz BSTQKAMNPJMTID-VIFPVBQESA-N 2 0 201.270 -1.300 20 0 BAADRP C[NH2+]CCNC(=O)CN1CC[NH2+]CC1 ZINC000637824514 351664406 /nfs/dbraw/zinc/66/44/06/351664406.db2.gz OOXPZSHRJYXJTF-UHFFFAOYSA-N 2 0 200.286 -1.773 20 0 BAADRP CC[NH2+]CCNC(=O)CN1CC[NH2+]CC1 ZINC000637826642 351674182 /nfs/dbraw/zinc/67/41/82/351674182.db2.gz VSSOIQFBEUAQHA-UHFFFAOYSA-N 2 0 214.313 -1.383 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637826644 351674026 /nfs/dbraw/zinc/67/40/26/351674026.db2.gz VTHALDZRSWEYNU-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP O=C(CN1CC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000637827443 351669818 /nfs/dbraw/zinc/66/98/18/351669818.db2.gz HJAGABXITLFTKU-UHFFFAOYSA-N 2 0 226.324 -1.240 20 0 BAADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000637827887 351670664 /nfs/dbraw/zinc/67/06/64/351670664.db2.gz VPSXVJGHPUCQSX-JTQLQIEISA-N 2 0 226.324 -1.240 20 0 BAADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000637827889 351670435 /nfs/dbraw/zinc/67/04/35/351670435.db2.gz VPSXVJGHPUCQSX-SNVBAGLBSA-N 2 0 226.324 -1.240 20 0 BAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000637828054 351670404 /nfs/dbraw/zinc/67/04/04/351670404.db2.gz PEYQLLKXPQTVSJ-BDAKNGLRSA-N 2 0 213.281 -1.029 20 0 BAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000637828210 351673299 /nfs/dbraw/zinc/67/32/99/351673299.db2.gz XPBRONSABBZQJO-HLTSFMKQSA-N 2 0 213.281 -1.029 20 0 BAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637828211 351673308 /nfs/dbraw/zinc/67/33/08/351673308.db2.gz XPBRONSABBZQJO-YIZRAAEISA-N 2 0 213.281 -1.029 20 0 BAADRP CC(C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637831148 351684908 /nfs/dbraw/zinc/68/49/08/351684908.db2.gz SSNYTLMXBOHEFG-UHFFFAOYSA-N 2 0 214.313 -1.255 20 0 BAADRP CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000637837116 351690383 /nfs/dbraw/zinc/69/03/83/351690383.db2.gz CKPPQOOVEAOEAY-JTQLQIEISA-N 2 0 226.324 -1.288 20 0 BAADRP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000637837117 351691322 /nfs/dbraw/zinc/69/13/22/351691322.db2.gz CKPPQOOVEAOEAY-SNVBAGLBSA-N 2 0 226.324 -1.288 20 0 BAADRP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000637838449 351693741 /nfs/dbraw/zinc/69/37/41/351693741.db2.gz XLWCGNFFADOMCM-HRDYMLBCSA-N 2 0 213.281 -1.077 20 0 BAADRP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000637838450 351694164 /nfs/dbraw/zinc/69/41/64/351694164.db2.gz XLWCGNFFADOMCM-XHNCKOQMSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000637842211 351698855 /nfs/dbraw/zinc/69/88/55/351698855.db2.gz RRWZSXNXZCPILA-JTQLQIEISA-N 2 0 226.324 -1.288 20 0 BAADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000637842213 351698880 /nfs/dbraw/zinc/69/88/80/351698880.db2.gz RRWZSXNXZCPILA-SNVBAGLBSA-N 2 0 226.324 -1.288 20 0 BAADRP C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000637842745 351697751 /nfs/dbraw/zinc/69/77/51/351697751.db2.gz XEJBNSBAORIPIR-HRDYMLBCSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000637842747 351697973 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351716311 /nfs/dbraw/zinc/71/63/11/351716311.db2.gz ANYQPEVOFZMFQU-JTQLQIEISA-N 2 0 226.324 -1.255 20 0 BAADRP [NH3+]C[C@@H](NC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000637853822 351716432 /nfs/dbraw/zinc/71/64/32/351716432.db2.gz ANYQPEVOFZMFQU-SNVBAGLBSA-N 2 0 226.324 -1.255 20 0 BAADRP CN(CCC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC000637855018 351714685 /nfs/dbraw/zinc/71/46/85/351714685.db2.gz PXWQADBOQUHLNR-UHFFFAOYSA-N 2 0 214.313 -1.301 20 0 BAADRP CC(C)([NH3+])CNC(=O)CN1CC[NH2+]CC1 ZINC000637858268 351719876 /nfs/dbraw/zinc/71/98/76/351719876.db2.gz YBFSVKOTLZADOE-UHFFFAOYSA-N 2 0 214.313 -1.255 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638092070 351970874 /nfs/dbraw/zinc/97/08/74/351970874.db2.gz SEAWTMYMUHSKQJ-VHSXEESVSA-N 2 0 245.323 -1.203 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)CN1CC[NH2+]CC1 ZINC000638143914 352006904 /nfs/dbraw/zinc/00/69/04/352006904.db2.gz KSSJJDVGSFVXLB-SECBINFHSA-N 2 0 214.313 -1.397 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)CN1CC[NH2+]CC1 ZINC000638143920 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352019156 /nfs/dbraw/zinc/01/91/56/352019156.db2.gz WNNMASVRAGGDAX-JTQLQIEISA-N 2 0 226.324 -1.255 20 0 BAADRP [NH3+][C@H](CNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000638155909 352018850 /nfs/dbraw/zinc/01/88/50/352018850.db2.gz WNNMASVRAGGDAX-SNVBAGLBSA-N 2 0 226.324 -1.255 20 0 BAADRP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2)CCC1 ZINC000638162244 352026422 /nfs/dbraw/zinc/02/64/22/352026422.db2.gz NOEJOTVLOPXQOP-UHFFFAOYSA-N 2 0 226.324 -1.111 20 0 BAADRP C[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638168925 352032945 /nfs/dbraw/zinc/03/29/45/352032945.db2.gz ARGRFLYJOSIAAM-MRVPVSSYSA-N 2 0 200.286 -1.645 20 0 BAADRP C[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638170966 352038064 /nfs/dbraw/zinc/03/80/64/352038064.db2.gz IRYXPTHYMLFQOV-GXSJLCMTSA-N 2 0 243.307 -1.449 20 0 BAADRP C[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638170969 352038446 /nfs/dbraw/zinc/03/84/46/352038446.db2.gz IRYXPTHYMLFQOV-KOLCDFICSA-N 2 0 243.307 -1.449 20 0 BAADRP C[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638170970 352037736 /nfs/dbraw/zinc/03/77/36/352037736.db2.gz IRYXPTHYMLFQOV-MWLCHTKSSA-N 2 0 243.307 -1.449 20 0 BAADRP C[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638170973 352037830 /nfs/dbraw/zinc/03/78/30/352037830.db2.gz IRYXPTHYMLFQOV-ONGXEEELSA-N 2 0 243.307 -1.449 20 0 BAADRP C[C@H](C[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638172079 352039722 /nfs/dbraw/zinc/03/97/22/352039722.db2.gz UIESMWHJVZMHQM-APPZFPTMSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H](C[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638172080 352039991 /nfs/dbraw/zinc/03/99/91/352039991.db2.gz UIESMWHJVZMHQM-VXNVDRBHSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638210198 352072970 /nfs/dbraw/zinc/07/29/70/352072970.db2.gz FRBPRRXJFUXTQZ-APPZFPTMSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@H]([NH3+])CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638210199 352072807 /nfs/dbraw/zinc/07/28/07/352072807.db2.gz FRBPRRXJFUXTQZ-CBAPKCEASA-N 2 0 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ADGAWLJIWWLYJR-JGVFFNPUSA-N 2 0 201.270 -1.220 20 0 BAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000638226051 352082271 /nfs/dbraw/zinc/08/22/71/352082271.db2.gz CAPSNVYTLFICQS-ZJUUUORDSA-N 2 0 243.307 -1.761 20 0 BAADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638233411 352087479 /nfs/dbraw/zinc/08/74/79/352087479.db2.gz GQQMTVGTIMSSQW-UWVGGRQHSA-N 2 0 226.324 -1.160 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638244767 352092407 /nfs/dbraw/zinc/09/24/07/352092407.db2.gz KSVWMVYGRLICOF-JZYVYDRUSA-N 2 0 224.308 -1.774 20 0 BAADRP C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]CCO1 ZINC000638245737 352092945 /nfs/dbraw/zinc/09/29/45/352092945.db2.gz QSUVQYRNTGUESW-SJQPAMGKSA-N 2 0 225.292 -1.301 20 0 BAADRP C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]CCO1 ZINC000638245739 352092795 /nfs/dbraw/zinc/09/27/95/352092795.db2.gz QSUVQYRNTGUESW-UYAYMFIHSA-N 2 0 225.292 -1.301 20 0 BAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638246371 352092931 /nfs/dbraw/zinc/09/29/31/352092931.db2.gz CNXXHMKMVBCWGA-MAUMQABQSA-N 2 0 231.271 -1.081 20 0 BAADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638247893 352093609 /nfs/dbraw/zinc/09/36/09/352093609.db2.gz LSMRQMHVIIGMPH-UWVGGRQHSA-N 2 0 244.314 -1.292 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638253564 352096479 /nfs/dbraw/zinc/09/64/79/352096479.db2.gz BIJYKJNTHKGCST-BDAKNGLRSA-N 2 0 214.313 -1.257 20 0 BAADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000638253565 352096252 /nfs/dbraw/zinc/09/62/52/352096252.db2.gz BIJYKJNTHKGCST-DTWKUNHWSA-N 2 0 214.313 -1.257 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638253566 352096397 /nfs/dbraw/zinc/09/63/97/352096397.db2.gz BIJYKJNTHKGCST-IUCAKERBSA-N 2 0 214.313 -1.257 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638253567 352096457 /nfs/dbraw/zinc/09/64/57/352096457.db2.gz BIJYKJNTHKGCST-RKDXNWHRSA-N 2 0 214.313 -1.257 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1 ZINC000638255669 352099080 /nfs/dbraw/zinc/09/90/80/352099080.db2.gz LQLNCOJHQYYFDJ-SECBINFHSA-N 2 0 214.313 -1.255 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)CN1CC[NH2+]CC1 ZINC000638255670 352098998 /nfs/dbraw/zinc/09/89/98/352098998.db2.gz LQLNCOJHQYYFDJ-VIFPVBQESA-N 2 0 214.313 -1.255 20 0 BAADRP CN(C(=O)CN1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000638257038 352099884 /nfs/dbraw/zinc/09/98/84/352099884.db2.gz ZZKKOGBJPBNXAK-UHFFFAOYSA-N 2 0 226.324 -1.160 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638257990 352101169 /nfs/dbraw/zinc/10/11/69/352101169.db2.gz DVZWXZWOKGEIKI-BDAKNGLRSA-N 2 0 242.323 -1.340 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@H](C)N1CCNCC1=O ZINC000638257991 352101488 /nfs/dbraw/zinc/10/14/88/352101488.db2.gz DVZWXZWOKGEIKI-DTWKUNHWSA-N 2 0 242.323 -1.340 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@H](C)N1CCNCC1=O ZINC000638257992 352101356 /nfs/dbraw/zinc/10/13/56/352101356.db2.gz DVZWXZWOKGEIKI-IUCAKERBSA-N 2 0 242.323 -1.340 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638257993 352101520 /nfs/dbraw/zinc/10/15/20/352101520.db2.gz DVZWXZWOKGEIKI-RKDXNWHRSA-N 2 0 242.323 -1.340 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638258139 352101921 /nfs/dbraw/zinc/10/19/21/352101921.db2.gz FPPHDMFFAVSMAO-BIIVOSGPSA-N 2 0 201.270 -1.044 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638258149 352101777 /nfs/dbraw/zinc/10/17/77/352101777.db2.gz FPPHDMFFAVSMAO-GJMOJQLCSA-N 2 0 201.270 -1.044 20 0 BAADRP C[NH+](C)CCOCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638289742 352125721 /nfs/dbraw/zinc/12/57/21/352125721.db2.gz BIXFQOMRUKOCOS-VHSXEESVSA-N 2 0 245.323 -1.203 20 0 BAADRP C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H]1[NH3+] ZINC000638332929 352151156 /nfs/dbraw/zinc/15/11/56/352151156.db2.gz QCURCRUKUVKZBG-BZNPZCIMSA-N 2 0 213.281 -1.092 20 0 BAADRP C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000638337851 352158193 /nfs/dbraw/zinc/15/81/93/352158193.db2.gz LDZSUDJXFUAESH-GXSJLCMTSA-N 2 0 243.307 -1.531 20 0 BAADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000638337852 352158097 /nfs/dbraw/zinc/15/80/97/352158097.db2.gz LDZSUDJXFUAESH-KOLCDFICSA-N 2 0 243.307 -1.531 20 0 BAADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000638337854 352157996 /nfs/dbraw/zinc/15/79/96/352157996.db2.gz LDZSUDJXFUAESH-MWLCHTKSSA-N 2 0 243.307 -1.531 20 0 BAADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000638337856 352158141 /nfs/dbraw/zinc/15/81/41/352158141.db2.gz LDZSUDJXFUAESH-ONGXEEELSA-N 2 0 243.307 -1.531 20 0 BAADRP CN(CC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC000638341783 352161048 /nfs/dbraw/zinc/16/10/48/352161048.db2.gz BSPUENMYHYDQAQ-UHFFFAOYSA-N 2 0 200.286 -1.691 20 0 BAADRP CN(CC[NH3+])C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638344326 352163448 /nfs/dbraw/zinc/16/34/48/352163448.db2.gz RPGAAPSSVJXSPK-SECBINFHSA-N 2 0 201.270 -1.218 20 0 BAADRP CN(CC[NH3+])C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638344327 352163812 /nfs/dbraw/zinc/16/38/12/352163812.db2.gz RPGAAPSSVJXSPK-VIFPVBQESA-N 2 0 201.270 -1.218 20 0 BAADRP [NH3+]CC12CC(C1)CN2C(=O)CN1CC[NH2+]CC1 ZINC000638419154 352228151 /nfs/dbraw/zinc/22/81/51/352228151.db2.gz UEJJBAUVFMUSKM-UHFFFAOYSA-N 2 0 238.335 -1.159 20 0 BAADRP O=C(CN1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000638427716 352235771 /nfs/dbraw/zinc/23/57/71/352235771.db2.gz MDDYLMGHODJUPA-UHFFFAOYSA-N 2 0 238.335 -1.240 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638431273 352239429 /nfs/dbraw/zinc/23/94/29/352239429.db2.gz DJCGXKHWRUFKKO-SECBINFHSA-N 2 0 214.313 -1.384 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638431276 352239125 /nfs/dbraw/zinc/23/91/25/352239125.db2.gz DJCGXKHWRUFKKO-VIFPVBQESA-N 2 0 214.313 -1.384 20 0 BAADRP [NH3+][C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@H]1F ZINC000638431286 352239119 /nfs/dbraw/zinc/23/91/19/352239119.db2.gz QYLDGFKGVCOWHO-NXEZZACHSA-N 2 0 244.314 -1.211 20 0 BAADRP C[C@@]1(NC(=O)CN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000638439491 352249231 /nfs/dbraw/zinc/24/92/31/352249231.db2.gz IOONXUJVUMSTCZ-LLVKDONJSA-N 2 0 226.324 -1.240 20 0 BAADRP C[C@]1(NC(=O)CN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000638439493 352249193 /nfs/dbraw/zinc/24/91/93/352249193.db2.gz IOONXUJVUMSTCZ-NSHDSACASA-N 2 0 226.324 -1.240 20 0 BAADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)C[NH3+] ZINC000638489274 352298172 /nfs/dbraw/zinc/29/81/72/352298172.db2.gz LSZZPGUODHZZMB-SECBINFHSA-N 2 0 242.323 -1.482 20 0 BAADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)C[NH3+] ZINC000638489276 352298348 /nfs/dbraw/zinc/29/83/48/352298348.db2.gz LSZZPGUODHZZMB-VIFPVBQESA-N 2 0 242.323 -1.482 20 0 BAADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C1(O)C[NH2+]C1 ZINC000638507146 352328793 /nfs/dbraw/zinc/32/87/93/352328793.db2.gz FDHKZQALFJRASK-MRVPVSSYSA-N 2 0 225.292 -1.279 20 0 BAADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C1(O)C[NH2+]C1 ZINC000638507153 352328303 /nfs/dbraw/zinc/32/83/03/352328303.db2.gz FDHKZQALFJRASK-QMMMGPOBSA-N 2 0 225.292 -1.279 20 0 BAADRP CCN(CC[NH3+])C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638512695 352338583 /nfs/dbraw/zinc/33/85/83/352338583.db2.gz JECFVBZHHYQWFV-JGVFFNPUSA-N 2 0 201.270 -1.090 20 0 BAADRP CCN(CC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC000638512763 352339378 /nfs/dbraw/zinc/33/93/78/352339378.db2.gz LYSGVYHYNQBNMW-UHFFFAOYSA-N 2 0 214.313 -1.301 20 0 BAADRP CCN(CC[NH3+])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638516534 352344668 /nfs/dbraw/zinc/34/46/68/352344668.db2.gz DHPUQFZHVLTKFH-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP CCN(CC[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638516535 352344437 /nfs/dbraw/zinc/34/44/37/352344437.db2.gz DHPUQFZHVLTKFH-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP CCN(CC[NH3+])C(=O)[C@H]1C[NH2+]CCO1 ZINC000638517074 352346178 /nfs/dbraw/zinc/34/61/78/352346178.db2.gz LNODNHHDNUCVCK-MRVPVSSYSA-N 2 0 201.270 -1.218 20 0 BAADRP CCN(CC[NH3+])C(=O)[C@@H]1C[NH2+]CCO1 ZINC000638522626 352355285 /nfs/dbraw/zinc/35/52/85/352355285.db2.gz LNODNHHDNUCVCK-QMMMGPOBSA-N 2 0 201.270 -1.218 20 0 BAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638536272 352368513 /nfs/dbraw/zinc/36/85/13/352368513.db2.gz ITPDPZXLGCWWHJ-MRVPVSSYSA-N 2 0 213.281 -1.469 20 0 BAADRP C[NH2+]CCOCCNC(=O)CN1CC[NH2+]CC1 ZINC000638574138 352403872 /nfs/dbraw/zinc/40/38/72/352403872.db2.gz QHGXTJIUMIOUKQ-UHFFFAOYSA-N 2 0 244.339 -1.756 20 0 BAADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000638574880 385999302 /nfs/dbraw/zinc/99/93/02/385999302.db2.gz XIOSHHXLCMFMJR-JGVFFNPUSA-N 2 0 213.281 -1.423 20 0 BAADRP C[NH2+]CCOCCNC(=O)[C@H](C)[NH2+]C ZINC000638575564 352403094 /nfs/dbraw/zinc/40/30/94/352403094.db2.gz GFWHCZDOJVSXRH-QMMMGPOBSA-N 2 0 203.286 -1.054 20 0 BAADRP C[NH2+]CCOCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638576395 352406643 /nfs/dbraw/zinc/40/66/43/352406643.db2.gz ZQKRVCNWUVAYKW-LLVKDONJSA-N 2 0 245.323 -1.283 20 0 BAADRP C[NH2+]CCOCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638576399 352406668 /nfs/dbraw/zinc/40/66/68/352406668.db2.gz ZQKRVCNWUVAYKW-NSHDSACASA-N 2 0 245.323 -1.283 20 0 BAADRP C[NH2+]CCOCCNC(=O)C1(C)C[NH2+]C1 ZINC000638577341 352408115 /nfs/dbraw/zinc/40/81/15/352408115.db2.gz XNFZSTBFPORZNF-UHFFFAOYSA-N 2 0 215.297 -1.052 20 0 BAADRP C[NH2+]CCOCCNC(=O)C1(O)C[NH2+]C1 ZINC000638577454 352405896 /nfs/dbraw/zinc/40/58/96/352405896.db2.gz YIRDZJRISYBUGA-UHFFFAOYSA-N 2 0 217.269 -2.327 20 0 BAADRP C[NH2+]CCOCCNC(=O)[C@H](C)C[NH3+] ZINC000638578159 352406987 /nfs/dbraw/zinc/40/69/87/352406987.db2.gz CECXHVAJTRFOTN-MRVPVSSYSA-N 2 0 203.286 -1.067 20 0 BAADRP C[NH2+]CCOCCNC(=O)[C@@H](C)C[NH3+] ZINC000638578160 352406722 /nfs/dbraw/zinc/40/67/22/352406722.db2.gz CECXHVAJTRFOTN-QMMMGPOBSA-N 2 0 203.286 -1.067 20 0 BAADRP C[NH2+]CCOCCNC(=O)C[NH+](C)C ZINC000638578798 352408923 /nfs/dbraw/zinc/40/89/23/352408923.db2.gz ITLULVIFZUPZCV-UHFFFAOYSA-N 2 0 203.286 -1.100 20 0 BAADRP C[NH2+]CCOCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638579329 352409814 /nfs/dbraw/zinc/40/98/14/352409814.db2.gz OVQQDKYLUDAWLS-MYJAWHEDSA-N 2 0 227.308 -1.196 20 0 BAADRP C[NH2+]CCOCCNC(=O)CCOC1C[NH2+]C1 ZINC000638579354 352409949 /nfs/dbraw/zinc/40/99/49/352409949.db2.gz OZQKGPWOKKJZSP-UHFFFAOYSA-N 2 0 245.323 -1.283 20 0 BAADRP C[NH2+]CCOCCNC(=O)COC1(C)C[NH2+]C1 ZINC000638579508 352409899 /nfs/dbraw/zinc/40/98/99/352409899.db2.gz RMOJITSHMNQMME-UHFFFAOYSA-N 2 0 245.323 -1.283 20 0 BAADRP C[NH2+]CCOCCNC(=O)CC[NH2+]C ZINC000638579923 352408849 /nfs/dbraw/zinc/40/88/49/352408849.db2.gz ZDZAZKGZKTZWAQ-UHFFFAOYSA-N 2 0 203.286 -1.052 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)COCC[NH3+] ZINC000638585937 352415809 /nfs/dbraw/zinc/41/58/09/352415809.db2.gz CJBJRQYHWQWGAE-UHFFFAOYSA-N 2 0 233.312 -1.344 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000638586291 398134563 /nfs/dbraw/zinc/13/45/63/398134563.db2.gz ONZPVFYSOVNKPW-JTQLQIEISA-N 2 0 245.323 -1.331 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000638586292 352416691 /nfs/dbraw/zinc/41/66/91/352416691.db2.gz ONZPVFYSOVNKPW-SNVBAGLBSA-N 2 0 245.323 -1.331 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)C[NH2+]C ZINC000638586799 352418569 /nfs/dbraw/zinc/41/85/69/352418569.db2.gz YVQVHRVKIMXDIJ-UHFFFAOYSA-N 2 0 203.286 -1.100 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000638593092 352423049 /nfs/dbraw/zinc/42/30/49/352423049.db2.gz HISGFXRLMULNJO-UHFFFAOYSA-N 2 0 231.296 -1.985 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638593725 352423623 /nfs/dbraw/zinc/42/36/23/352423623.db2.gz IBCHIJMGKJVQBX-VHSXEESVSA-N 2 0 245.323 -1.203 20 0 BAADRP CN1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000638610850 352449281 /nfs/dbraw/zinc/44/92/81/352449281.db2.gz LHOKEJOUUKMIIS-NXEZZACHSA-N 2 0 243.307 -1.578 20 0 BAADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638610855 352449492 /nfs/dbraw/zinc/44/94/92/352449492.db2.gz LHOKEJOUUKMIIS-UWVGGRQHSA-N 2 0 243.307 -1.578 20 0 BAADRP CN1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000638610856 352449576 /nfs/dbraw/zinc/44/95/76/352449576.db2.gz LHOKEJOUUKMIIS-VHSXEESVSA-N 2 0 243.307 -1.578 20 0 BAADRP CN1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638610858 352449657 /nfs/dbraw/zinc/44/96/57/352449657.db2.gz LHOKEJOUUKMIIS-ZJUUUORDSA-N 2 0 243.307 -1.578 20 0 BAADRP COCC[NH2+]CC(=O)NC[C@H]1COCCN1C ZINC000638610917 352449232 /nfs/dbraw/zinc/44/92/32/352449232.db2.gz LZJORAYBMCFBKU-JTQLQIEISA-N 2 0 245.323 -1.331 20 0 BAADRP COCC[NH2+]CC(=O)NC[C@@H]1COCCN1C ZINC000638610919 352449298 /nfs/dbraw/zinc/44/92/98/352449298.db2.gz LZJORAYBMCFBKU-SNVBAGLBSA-N 2 0 245.323 -1.331 20 0 BAADRP C[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000638612238 352451861 /nfs/dbraw/zinc/45/18/61/352451861.db2.gz NVAHWTBCBWJGSR-GXSJLCMTSA-N 2 0 243.307 -1.531 20 0 BAADRP C[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000638612240 352451814 /nfs/dbraw/zinc/45/18/14/352451814.db2.gz NVAHWTBCBWJGSR-KOLCDFICSA-N 2 0 243.307 -1.531 20 0 BAADRP C[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000638612251 352452206 /nfs/dbraw/zinc/45/22/06/352452206.db2.gz NVAHWTBCBWJGSR-MWLCHTKSSA-N 2 0 243.307 -1.531 20 0 BAADRP C[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000638612252 352452218 /nfs/dbraw/zinc/45/22/18/352452218.db2.gz NVAHWTBCBWJGSR-ONGXEEELSA-N 2 0 243.307 -1.531 20 0 BAADRP CN1CCOC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000638612397 352452118 /nfs/dbraw/zinc/45/21/18/352452118.db2.gz VLTFXGDAHNSKOO-MRVPVSSYSA-N 2 0 213.281 -1.076 20 0 BAADRP CN1CCOC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000638612398 352452256 /nfs/dbraw/zinc/45/22/56/352452256.db2.gz VLTFXGDAHNSKOO-QMMMGPOBSA-N 2 0 213.281 -1.076 20 0 BAADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638612527 352450245 /nfs/dbraw/zinc/45/02/45/352450245.db2.gz PUZJYNSTMUFOTB-CIUDSAMLSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638612528 352450366 /nfs/dbraw/zinc/45/03/66/352450366.db2.gz PUZJYNSTMUFOTB-IWSPIJDZSA-N 2 0 213.281 -1.172 20 0 BAADRP CC1(C(=O)NC[C@@H]2COCC[NH2+]2)C[NH2+]C1 ZINC000638613920 352453427 /nfs/dbraw/zinc/45/34/27/352453427.db2.gz MPUQZDIWJDRXND-MRVPVSSYSA-N 2 0 213.281 -1.300 20 0 BAADRP CC1(C(=O)NC[C@H]2COCC[NH2+]2)C[NH2+]C1 ZINC000638613921 352453197 /nfs/dbraw/zinc/45/31/97/352453197.db2.gz MPUQZDIWJDRXND-QMMMGPOBSA-N 2 0 213.281 -1.300 20 0 BAADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638614092 352452755 /nfs/dbraw/zinc/45/27/55/352452755.db2.gz PUZJYNSTMUFOTB-HRDYMLBCSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638614093 352452523 /nfs/dbraw/zinc/45/25/23/352452523.db2.gz PUZJYNSTMUFOTB-YIZRAAEISA-N 2 0 213.281 -1.172 20 0 BAADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638614658 352454135 /nfs/dbraw/zinc/45/41/35/352454135.db2.gz WOXKGSKDFDWEBL-UWVGGRQHSA-N 2 0 245.323 -1.157 20 0 BAADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614659 352454208 /nfs/dbraw/zinc/45/42/08/352454208.db2.gz WOXKGSKDFDWEBL-ZJUUUORDSA-N 2 0 245.323 -1.157 20 0 BAADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000638615317 386194147 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O=C(C[NH2+]C1CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638616401 352456835 /nfs/dbraw/zinc/45/68/35/352456835.db2.gz QUZFYKMEBHVCQM-SECBINFHSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(C[NH2+]C1CC1)NC[C@H]1COCC[NH2+]1 ZINC000638616402 352456456 /nfs/dbraw/zinc/45/64/56/352456456.db2.gz QUZFYKMEBHVCQM-VIFPVBQESA-N 2 0 213.281 -1.157 20 0 BAADRP [NH3+]C1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC1 ZINC000638616905 352457449 /nfs/dbraw/zinc/45/74/49/352457449.db2.gz UMZBHEVWABXTOQ-MRVPVSSYSA-N 2 0 213.281 -1.028 20 0 BAADRP [NH3+]C1(C(=O)NC[C@H]2COCC[NH2+]2)CCC1 ZINC000638616906 352457315 /nfs/dbraw/zinc/45/73/15/352457315.db2.gz UMZBHEVWABXTOQ-QMMMGPOBSA-N 2 0 213.281 -1.028 20 0 BAADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617407 352457430 /nfs/dbraw/zinc/45/74/30/352457430.db2.gz ZAHQKAIUYOOORT-HTQZYQBOSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617408 352457525 /nfs/dbraw/zinc/45/75/25/352457525.db2.gz ZAHQKAIUYOOORT-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000638623884 352461608 /nfs/dbraw/zinc/46/16/08/352461608.db2.gz LPNRXYWZIAZESK-BDAKNGLRSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000638623885 352462045 /nfs/dbraw/zinc/46/20/45/352462045.db2.gz LPNRXYWZIAZESK-DTWKUNHWSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000638623886 352461582 /nfs/dbraw/zinc/46/15/82/352461582.db2.gz LPNRXYWZIAZESK-IUCAKERBSA-N 2 0 213.281 -1.157 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000638623887 352461792 /nfs/dbraw/zinc/46/17/92/352461792.db2.gz LPNRXYWZIAZESK-RKDXNWHRSA-N 2 0 213.281 -1.157 20 0 BAADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638624830 352462818 /nfs/dbraw/zinc/46/28/18/352462818.db2.gz IHZAEIWHNVFJJJ-BDAKNGLRSA-N 2 0 215.297 -1.054 20 0 BAADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638624831 352462664 /nfs/dbraw/zinc/46/26/64/352462664.db2.gz IHZAEIWHNVFJJJ-DTWKUNHWSA-N 2 0 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352513041 /nfs/dbraw/zinc/51/30/41/352513041.db2.gz ADOBGAJVTWYJJV-UHFFFAOYSA-N 2 0 217.269 -2.246 20 0 BAADRP CN(CCOCC[NH3+])C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638673604 352514892 /nfs/dbraw/zinc/51/48/92/352514892.db2.gz LGYSQGOYSORUJE-LLVKDONJSA-N 2 0 245.323 -1.201 20 0 BAADRP CN(CCOCC[NH3+])C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638673605 352514862 /nfs/dbraw/zinc/51/48/62/352514862.db2.gz LGYSQGOYSORUJE-NSHDSACASA-N 2 0 245.323 -1.201 20 0 BAADRP CN(CCOCC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC000638673659 352514810 /nfs/dbraw/zinc/51/48/10/352514810.db2.gz MUVZSMGVFHGEPP-UHFFFAOYSA-N 2 0 244.339 -1.675 20 0 BAADRP CN(CCOCC[NH3+])C(=O)CCOC1C[NH2+]C1 ZINC000638674085 352515327 /nfs/dbraw/zinc/51/53/27/352515327.db2.gz DSOHHDBLGFXNBN-UHFFFAOYSA-N 2 0 245.323 -1.201 20 0 BAADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[NH2+]CCO1 ZINC000638674199 352515418 /nfs/dbraw/zinc/51/54/18/352515418.db2.gz GQTSGIDUEXQZIJ-SECBINFHSA-N 2 0 231.296 -1.592 20 0 BAADRP CN(CCOCC[NH3+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 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ZINC000638679924 352517352 /nfs/dbraw/zinc/51/73/52/352517352.db2.gz GQTSGIDUEXQZIJ-VIFPVBQESA-N 2 0 231.296 -1.592 20 0 BAADRP CN(CCOCC[NH3+])C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638679937 352518251 /nfs/dbraw/zinc/51/82/51/352518251.db2.gz GXPNSDJXXLKRLK-JTQLQIEISA-N 2 0 245.323 -1.201 20 0 BAADRP CN(CCOCC[NH3+])C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638679938 352518357 /nfs/dbraw/zinc/51/83/57/352518357.db2.gz GXPNSDJXXLKRLK-SNVBAGLBSA-N 2 0 245.323 -1.201 20 0 BAADRP CN(CCOCC[NH3+])C(=O)C1([NH3+])CC1 ZINC000638680463 352519038 /nfs/dbraw/zinc/51/90/38/352519038.db2.gz SAOXDHVLIQZZMV-UHFFFAOYSA-N 2 0 201.270 -1.089 20 0 BAADRP COCC[NH2+]CC(=O)N(C)CCOCC[NH3+] ZINC000638680640 352519628 /nfs/dbraw/zinc/51/96/28/352519628.db2.gz WAUMWLYDSSQSEH-UHFFFAOYSA-N 2 0 233.312 -1.344 20 0 BAADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000638727510 352586612 /nfs/dbraw/zinc/58/66/12/352586612.db2.gz ITPDPZXLGCWWHJ-QMMMGPOBSA-N 2 0 213.281 -1.469 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638764835 352703982 /nfs/dbraw/zinc/70/39/82/352703982.db2.gz BPPKSTLWXQPWTO-VHSXEESVSA-N 2 0 226.324 -1.242 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638765686 352704717 /nfs/dbraw/zinc/70/47/17/352704717.db2.gz KTLLXWLSMQSFHL-RBXMUDONSA-N 2 0 213.281 -1.031 20 0 BAADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767188 352706668 /nfs/dbraw/zinc/70/66/68/352706668.db2.gz ACIXRVQEKVMCEU-BIIVOSGPSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000638768421 352706012 /nfs/dbraw/zinc/70/60/12/352706012.db2.gz ZRXWQCRQCFLZKR-DJLDLDEBSA-N 2 0 213.281 -1.159 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)COCC[NH3+] ZINC000638773170 352714260 /nfs/dbraw/zinc/71/42/60/352714260.db2.gz HYRMAEXQVCAMSG-JGVFFNPUSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638774274 352716322 /nfs/dbraw/zinc/71/63/22/352716322.db2.gz ZRXWQCRQCFLZKR-YIZRAAEISA-N 2 0 213.281 -1.159 20 0 BAADRP O=C(N[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638792589 352754593 /nfs/dbraw/zinc/75/45/93/352754593.db2.gz NAOAINQZGZXDSX-NGZCFLSTSA-N 2 0 225.292 -1.300 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802249 352936561 /nfs/dbraw/zinc/93/65/61/352936561.db2.gz PRWGTWPUGOPEIB-SCZZXKLOSA-N 2 0 242.323 -1.436 20 0 BAADRP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000638899775 353062538 /nfs/dbraw/zinc/06/25/38/353062538.db2.gz FCPKBOUVDDBBRM-HTQZYQBOSA-N 2 0 213.281 -1.626 20 0 BAADRP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910018 353066901 /nfs/dbraw/zinc/06/69/01/353066901.db2.gz LNKXZSQFUFREIU-GUBZILKMSA-N 2 0 225.292 -1.062 20 0 BAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910019 353067750 /nfs/dbraw/zinc/06/77/50/353067750.db2.gz LNKXZSQFUFREIU-LPEHRKFASA-N 2 0 225.292 -1.062 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910065 353067578 /nfs/dbraw/zinc/06/75/78/353067578.db2.gz MXEOTFRTQOSZRG-CIUDSAMLSA-N 2 0 211.265 -1.453 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910066 353067627 /nfs/dbraw/zinc/06/76/27/353067627.db2.gz MXEOTFRTQOSZRG-XHNCKOQMSA-N 2 0 211.265 -1.453 20 0 BAADRP COCC[NH2+]CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910808 353075694 /nfs/dbraw/zinc/07/56/94/353075694.db2.gz VVLJBUZWTLFQLD-IUCAKERBSA-N 2 0 213.281 -1.205 20 0 BAADRP O=C(C[C@@H]1COCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914616 353073416 /nfs/dbraw/zinc/07/34/16/353073416.db2.gz BUECSWZGRLHGRA-AEJSXWLSSA-N 2 0 225.292 -1.062 20 0 BAADRP O=C(C[C@H]1COCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914617 353073507 /nfs/dbraw/zinc/07/35/07/353073507.db2.gz BUECSWZGRLHGRA-GUBZILKMSA-N 2 0 225.292 -1.062 20 0 BAADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915003 353074302 /nfs/dbraw/zinc/07/43/02/353074302.db2.gz GZMBIOLEKHDZSM-CIUDSAMLSA-N 2 0 213.281 -1.077 20 0 BAADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915007 353074010 /nfs/dbraw/zinc/07/40/10/353074010.db2.gz GZMBIOLEKHDZSM-XHNCKOQMSA-N 2 0 213.281 -1.077 20 0 BAADRP O=C(CCOC1C[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915383 353073973 /nfs/dbraw/zinc/07/39/73/353073973.db2.gz LOUKAZICDJTEHX-IUCAKERBSA-N 2 0 225.292 -1.062 20 0 BAADRP CC1(OCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]C1 ZINC000638915915 353071214 /nfs/dbraw/zinc/07/12/14/353071214.db2.gz PQQKLCZMIHSXNJ-IUCAKERBSA-N 2 0 225.292 -1.062 20 0 BAADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916659 353080480 /nfs/dbraw/zinc/08/04/80/353080480.db2.gz AUGOBIKWNBUCSC-AATLWQCWSA-N 2 0 225.292 -1.077 20 0 BAADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916660 353080484 /nfs/dbraw/zinc/08/04/84/353080484.db2.gz AUGOBIKWNBUCSC-AXTSPUMRSA-N 2 0 225.292 -1.077 20 0 BAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916661 353080400 /nfs/dbraw/zinc/08/04/00/353080400.db2.gz AUGOBIKWNBUCSC-QEYWKRMJSA-N 2 0 225.292 -1.077 20 0 BAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916662 353080428 /nfs/dbraw/zinc/08/04/28/353080428.db2.gz AUGOBIKWNBUCSC-XKNYDFJKSA-N 2 0 225.292 -1.077 20 0 BAADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638916695 353080640 /nfs/dbraw/zinc/08/06/40/353080640.db2.gz BFIKOJLSHHQIGN-GMOBBJLQSA-N 2 0 237.303 -1.205 20 0 BAADRP C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]CCO1 ZINC000638917530 353081396 /nfs/dbraw/zinc/08/13/96/353081396.db2.gz GNMBZSUSQXDYHO-ATZCPNFKSA-N 2 0 225.292 -1.062 20 0 BAADRP C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]CCO1 ZINC000638917531 353081774 /nfs/dbraw/zinc/08/17/74/353081774.db2.gz GNMBZSUSQXDYHO-QXEWZRGKSA-N 2 0 225.292 -1.062 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918909 353083821 /nfs/dbraw/zinc/08/38/21/353083821.db2.gz HTZQVGKYXXTUNM-AEJSXWLSSA-N 2 0 225.292 -1.062 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918910 353083580 /nfs/dbraw/zinc/08/35/80/353083580.db2.gz HTZQVGKYXXTUNM-KXUCPTDWSA-N 2 0 225.292 -1.062 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638919109 353083704 /nfs/dbraw/zinc/08/37/04/353083704.db2.gz YHWRMQLSQUPBNB-UWVGGRQHSA-N 2 0 224.308 -1.536 20 0 BAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638919138 353083895 /nfs/dbraw/zinc/08/38/95/353083895.db2.gz ZIBPABNXHSWLKV-MAUMQABQSA-N 2 0 211.265 -1.325 20 0 BAADRP [NH3+]CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919360 353083832 /nfs/dbraw/zinc/08/38/32/353083832.db2.gz NVPOKUFPLFWCMM-DTORHVGOSA-N 2 0 213.281 -1.076 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927203 411514426 /nfs/dbraw/zinc/51/44/26/411514426.db2.gz VDIKJFWCQQSAJZ-PHIMTYICSA-N 2 0 238.335 -1.146 20 0 BAADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(O)C[NH2+]C1 ZINC000638927667 386019216 /nfs/dbraw/zinc/01/92/16/386019216.db2.gz ZDSGCIQCKQXCII-OCAPTIKFSA-N 2 0 211.265 -1.717 20 0 BAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1 ZINC000638933769 353096330 /nfs/dbraw/zinc/09/63/30/353096330.db2.gz ZUXCLERVTVYFLO-NXEZZACHSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1 ZINC000638933770 353096278 /nfs/dbraw/zinc/09/62/78/353096278.db2.gz ZUXCLERVTVYFLO-UWVGGRQHSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1 ZINC000638933771 353096166 /nfs/dbraw/zinc/09/61/66/353096166.db2.gz ZUXCLERVTVYFLO-VHSXEESVSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CC[NH2+]CC1 ZINC000638933772 353096269 /nfs/dbraw/zinc/09/62/69/353096269.db2.gz ZUXCLERVTVYFLO-ZJUUUORDSA-N 2 0 226.324 -1.160 20 0 BAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000638938099 353116856 /nfs/dbraw/zinc/11/68/56/353116856.db2.gz WIXYDTFQNIJCGP-DJLDLDEBSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000638938106 353116900 /nfs/dbraw/zinc/11/69/00/353116900.db2.gz WIXYDTFQNIJCGP-HRDYMLBCSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000638938110 353116935 /nfs/dbraw/zinc/11/69/35/353116935.db2.gz WIXYDTFQNIJCGP-IWSPIJDZSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000638938117 353117702 /nfs/dbraw/zinc/11/77/02/353117702.db2.gz WIXYDTFQNIJCGP-XHNCKOQMSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000638947697 353150062 /nfs/dbraw/zinc/15/00/62/353150062.db2.gz WIXYDTFQNIJCGP-HLTSFMKQSA-N 2 0 213.281 -1.077 20 0 BAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000638947698 353150116 /nfs/dbraw/zinc/15/01/16/353150116.db2.gz WIXYDTFQNIJCGP-VGMNWLOBSA-N 2 0 213.281 -1.077 20 0 BAADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000638950078 353155105 /nfs/dbraw/zinc/15/51/05/353155105.db2.gz JGRGIJGSVAOLQF-KYZUINATSA-N 2 0 227.308 -1.046 20 0 BAADRP [NH3+][C@H]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000639032426 353302214 /nfs/dbraw/zinc/30/22/14/353302214.db2.gz XJTAZYYDMKIWPY-ZKCHVHJHSA-N 2 0 213.281 -1.293 20 0 BAADRP C[N@H+](CCC[NH3+])CCCS(N)(=O)=O ZINC000641796949 362740293 /nfs/dbraw/zinc/74/02/93/362740293.db2.gz NJJMSHFSMUDXIO-UHFFFAOYSA-N 2 0 209.315 -1.054 20 0 BAADRP C[N@H+](CCCS(N)(=O)=O)CCOCC[NH3+] ZINC000641825511 362775135 /nfs/dbraw/zinc/77/51/35/362775135.db2.gz YKDGERLNRJWFAC-UHFFFAOYSA-N 2 0 239.341 -1.428 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000643773355 385267891 /nfs/dbraw/zinc/26/78/91/385267891.db2.gz VMQOUUKACOEIBJ-HRDYMLBCSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000643773356 385268002 /nfs/dbraw/zinc/26/80/02/385268002.db2.gz VMQOUUKACOEIBJ-XHNCKOQMSA-N 2 0 213.281 -1.172 20 0 BAADRP C[NH2+]CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000645135091 386744584 /nfs/dbraw/zinc/74/45/84/386744584.db2.gz XTKYEQWYPUUJHQ-UHFFFAOYSA-N 2 0 228.296 -1.904 20 0 BAADRP COCC[N@@H+]1CC[C@H](NC(=O)COCC[NH3+])C1 ZINC000645951645 388265533 /nfs/dbraw/zinc/26/55/33/388265533.db2.gz UDNHOCYHWHFKTF-JTQLQIEISA-N 2 0 245.323 -1.201 20 0 BAADRP COCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000645951646 388265887 /nfs/dbraw/zinc/26/58/87/388265887.db2.gz UDNHOCYHWHFKTF-SNVBAGLBSA-N 2 0 245.323 -1.201 20 0 BAADRP CC(C)[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[NH2+]1 ZINC000646327482 388227664 /nfs/dbraw/zinc/22/76/64/388227664.db2.gz BBECRHDZMPJVGV-SECBINFHSA-N 2 0 242.323 -1.482 20 0 BAADRP [NH3+]CCOCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000646503550 388369746 /nfs/dbraw/zinc/36/97/46/388369746.db2.gz KEZBWMKGUCSCRN-UHFFFAOYSA-N 2 0 245.323 -1.200 20 0 BAADRP C[C@@H](C[NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575797 388387630 /nfs/dbraw/zinc/38/76/30/388387630.db2.gz JSISCKACNGVDNZ-JTQLQIEISA-N 2 0 228.340 -1.007 20 0 BAADRP C[C@H](C[NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575798 388387520 /nfs/dbraw/zinc/38/75/20/388387520.db2.gz JSISCKACNGVDNZ-SNVBAGLBSA-N 2 0 228.340 -1.007 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NCC1([NH3+])CCCCC1 ZINC000646584469 388390350 /nfs/dbraw/zinc/39/03/50/388390350.db2.gz GXNJEFREGRBUAI-UHFFFAOYSA-N 2 0 242.323 -1.161 20 0 BAADRP CC(C)([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000646637994 388399016 /nfs/dbraw/zinc/39/90/16/388399016.db2.gz VAFAWMNPICJUOP-UHFFFAOYSA-N 2 0 242.323 -1.338 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649478 388401970 /nfs/dbraw/zinc/40/19/70/388401970.db2.gz GZZVDZWHGABDQJ-MRVPVSSYSA-N 2 0 228.296 -1.680 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649479 388402167 /nfs/dbraw/zinc/40/21/67/388402167.db2.gz GZZVDZWHGABDQJ-QMMMGPOBSA-N 2 0 228.296 -1.680 20 0 BAADRP CC[NH2+]CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646683332 398082713 /nfs/dbraw/zinc/08/27/13/398082713.db2.gz JTFOHIKQWHLXID-SECBINFHSA-N 2 0 242.323 -1.420 20 0 BAADRP CC[NH2+]CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646683333 398082872 /nfs/dbraw/zinc/08/28/72/398082872.db2.gz JTFOHIKQWHLXID-VIFPVBQESA-N 2 0 242.323 -1.420 20 0 BAADRP C[C@@H]1CN(C(=O)CNC(=O)C[NH3+])C[C@@H](C)[NH2+]1 ZINC000646737105 388447689 /nfs/dbraw/zinc/44/76/89/388447689.db2.gz VDSPFVBHFGMTIJ-HTQZYQBOSA-N 2 0 228.296 -1.730 20 0 BAADRP C[C@@H]1CN(C(=O)CNC(=O)C[NH3+])C[C@H](C)[NH2+]1 ZINC000646737106 388447786 /nfs/dbraw/zinc/44/77/86/388447786.db2.gz VDSPFVBHFGMTIJ-OCAPTIKFSA-N 2 0 228.296 -1.730 20 0 BAADRP C[C@H]1CN(C(=O)CNC(=O)C[NH3+])C[C@H](C)[NH2+]1 ZINC000646737107 388447852 /nfs/dbraw/zinc/44/78/52/388447852.db2.gz VDSPFVBHFGMTIJ-YUMQZZPRSA-N 2 0 228.296 -1.730 20 0 BAADRP C[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@H]1C[NH3+] ZINC000646770947 388494594 /nfs/dbraw/zinc/49/45/94/388494594.db2.gz GXKPEPPKSZYYMU-BDAKNGLRSA-N 2 0 242.323 -1.353 20 0 BAADRP C[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@@H]1C[NH3+] ZINC000646770948 388494721 /nfs/dbraw/zinc/49/47/21/388494721.db2.gz GXKPEPPKSZYYMU-DTWKUNHWSA-N 2 0 242.323 -1.353 20 0 BAADRP C[C@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@H]1C[NH3+] ZINC000646770949 388494742 /nfs/dbraw/zinc/49/47/42/388494742.db2.gz GXKPEPPKSZYYMU-IUCAKERBSA-N 2 0 242.323 -1.353 20 0 BAADRP C[C@@H]1CCCN(C(=O)CNC(=O)C[NH3+])[C@@H]1C[NH3+] ZINC000646770950 388494636 /nfs/dbraw/zinc/49/46/36/388494636.db2.gz GXKPEPPKSZYYMU-RKDXNWHRSA-N 2 0 242.323 -1.353 20 0 BAADRP CN(CCC[NH3+])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646784088 388501655 /nfs/dbraw/zinc/50/16/55/388501655.db2.gz ZZXFEHUGJXOGGK-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP CN(CCC[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646784089 388501900 /nfs/dbraw/zinc/50/19/00/388501900.db2.gz ZZXFEHUGJXOGGK-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000646833209 388563464 /nfs/dbraw/zinc/56/34/64/388563464.db2.gz PZRRDOGAAHLDGW-NXEZZACHSA-N 2 0 242.323 -1.924 20 0 BAADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000646833210 388563640 /nfs/dbraw/zinc/56/36/40/388563640.db2.gz PZRRDOGAAHLDGW-UWVGGRQHSA-N 2 0 242.323 -1.924 20 0 BAADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000646833211 388562950 /nfs/dbraw/zinc/56/29/50/388562950.db2.gz PZRRDOGAAHLDGW-VHSXEESVSA-N 2 0 242.323 -1.924 20 0 BAADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000646833212 388563281 /nfs/dbraw/zinc/56/32/81/388563281.db2.gz PZRRDOGAAHLDGW-ZJUUUORDSA-N 2 0 242.323 -1.924 20 0 BAADRP CN1CCN(C(=O)COCC[NH3+])[C@H](C[NH3+])C1 ZINC000646833221 388563730 /nfs/dbraw/zinc/56/37/30/388563730.db2.gz RAPWLTXVQUBYEY-SECBINFHSA-N 2 0 230.312 -1.937 20 0 BAADRP CN1CCN(C(=O)COCC[NH3+])[C@@H](C[NH3+])C1 ZINC000646833222 388563002 /nfs/dbraw/zinc/56/30/02/388563002.db2.gz RAPWLTXVQUBYEY-VIFPVBQESA-N 2 0 230.312 -1.937 20 0 BAADRP CO[C@@H](C[NH3+])CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646833227 388563384 /nfs/dbraw/zinc/56/33/84/388563384.db2.gz SVEKBKNXIXCHNL-NXEZZACHSA-N 2 0 244.339 -1.549 20 0 BAADRP CO[C@H](C[NH3+])CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000646833228 388563787 /nfs/dbraw/zinc/56/37/87/388563787.db2.gz SVEKBKNXIXCHNL-UWVGGRQHSA-N 2 0 244.339 -1.549 20 0 BAADRP CO[C@@H](C[NH3+])CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000646833229 388563290 /nfs/dbraw/zinc/56/32/90/388563290.db2.gz SVEKBKNXIXCHNL-VHSXEESVSA-N 2 0 244.339 -1.549 20 0 BAADRP CO[C@H](C[NH3+])CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646833230 388563777 /nfs/dbraw/zinc/56/37/77/388563777.db2.gz SVEKBKNXIXCHNL-ZJUUUORDSA-N 2 0 244.339 -1.549 20 0 BAADRP COCC[NH2+]CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646842571 388617407 /nfs/dbraw/zinc/61/74/07/388617407.db2.gz CCPJPKRLTCWGQP-NXEZZACHSA-N 2 0 245.323 -1.203 20 0 BAADRP COCC[NH2+]CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646842585 388617543 /nfs/dbraw/zinc/61/75/43/388617543.db2.gz CCPJPKRLTCWGQP-UWVGGRQHSA-N 2 0 245.323 -1.203 20 0 BAADRP COCC[NH2+]CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646842586 388617601 /nfs/dbraw/zinc/61/76/01/388617601.db2.gz CCPJPKRLTCWGQP-VHSXEESVSA-N 2 0 245.323 -1.203 20 0 BAADRP COCC[NH2+]CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646842588 388617131 /nfs/dbraw/zinc/61/71/31/388617131.db2.gz CCPJPKRLTCWGQP-ZJUUUORDSA-N 2 0 245.323 -1.203 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000646842625 388617950 /nfs/dbraw/zinc/61/79/50/388617950.db2.gz CRKHAEIRYDFQIP-AEJSXWLSSA-N 2 0 243.307 -1.451 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000646842626 388617289 /nfs/dbraw/zinc/61/72/89/388617289.db2.gz CRKHAEIRYDFQIP-BBBLOLIVSA-N 2 0 243.307 -1.451 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000646842627 388617613 /nfs/dbraw/zinc/61/76/13/388617613.db2.gz CRKHAEIRYDFQIP-GUBZILKMSA-N 2 0 243.307 -1.451 20 0 BAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000646842628 388617606 /nfs/dbraw/zinc/61/76/06/388617606.db2.gz CRKHAEIRYDFQIP-IVZWLZJFSA-N 2 0 243.307 -1.451 20 0 BAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000646842629 388617809 /nfs/dbraw/zinc/61/78/09/388617809.db2.gz CRKHAEIRYDFQIP-LPEHRKFASA-N 2 0 243.307 -1.451 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000646842630 388617420 /nfs/dbraw/zinc/61/74/20/388617420.db2.gz CRKHAEIRYDFQIP-OPRDCNLKSA-N 2 0 243.307 -1.451 20 0 BAADRP COCC[NH2+]CCNC(=O)CCOC1C[NH2+]C1 ZINC000646905113 385016581 /nfs/dbraw/zinc/01/65/81/385016581.db2.gz BNPFQMDTTZKGDZ-UHFFFAOYSA-N 2 0 245.323 -1.283 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646905219 566269847 /nfs/dbraw/zinc/26/98/47/566269847.db2.gz WLJCXDCSXPSLOL-VIFPVBQESA-N 2 0 231.296 -1.673 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647022687 385155759 /nfs/dbraw/zinc/15/57/59/385155759.db2.gz AVZLRRVRUDBURS-BDAKNGLRSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@H]([NH3+])CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000647022688 385155540 /nfs/dbraw/zinc/15/55/40/385155540.db2.gz AVZLRRVRUDBURS-DTWKUNHWSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647022689 385155482 /nfs/dbraw/zinc/15/54/82/385155482.db2.gz AVZLRRVRUDBURS-IUCAKERBSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000647022690 385155175 /nfs/dbraw/zinc/15/51/75/385155175.db2.gz AVZLRRVRUDBURS-RKDXNWHRSA-N 2 0 242.323 -1.292 20 0 BAADRP COC[C@]1(CNC(=O)COCC[NH3+])CCC[NH2+]1 ZINC000647042057 385179075 /nfs/dbraw/zinc/17/90/75/385179075.db2.gz JQCSVDMZISPUKZ-LLVKDONJSA-N 2 0 245.323 -1.154 20 0 BAADRP COC[C@@]1(CNC(=O)COCC[NH3+])CCC[NH2+]1 ZINC000647042058 385177812 /nfs/dbraw/zinc/17/78/12/385177812.db2.gz JQCSVDMZISPUKZ-NSHDSACASA-N 2 0 245.323 -1.154 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647068774 385214774 /nfs/dbraw/zinc/21/47/74/385214774.db2.gz RFASSZGTQXJJJL-FXQIFTODSA-N 2 0 201.270 -1.173 20 0 BAADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000647068775 385216333 /nfs/dbraw/zinc/21/63/33/385216333.db2.gz RFASSZGTQXJJJL-RNJXMRFFSA-N 2 0 201.270 -1.173 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647069039 385215609 /nfs/dbraw/zinc/21/56/09/385215609.db2.gz QOFNRMOSGNHYLI-SFYZADRCSA-N 2 0 201.270 -1.172 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647069040 385216090 /nfs/dbraw/zinc/21/60/90/385216090.db2.gz QOFNRMOSGNHYLI-YUMQZZPRSA-N 2 0 201.270 -1.172 20 0 BAADRP CN(C(=O)COCC[NH3+])C1CC([NH3+])C1 ZINC000647073623 398011583 /nfs/dbraw/zinc/01/15/83/398011583.db2.gz AJPKRPBXJZPXGL-UHFFFAOYSA-N 2 0 201.270 -1.090 20 0 BAADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)C1CC([NH3+])C1 ZINC000647073651 385231503 /nfs/dbraw/zinc/23/15/03/385231503.db2.gz RRYPFSLKUOJHEH-HACHORDNSA-N 2 0 213.281 -1.077 20 0 BAADRP [NH3+]CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000647605233 384927039 /nfs/dbraw/zinc/92/70/39/384927039.db2.gz WZQQXZNFWFMCII-QMMMGPOBSA-N 2 0 228.296 -1.599 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000647611122 384952152 /nfs/dbraw/zinc/95/21/52/384952152.db2.gz DTZGNGAKKUVMOT-SCZZXKLOSA-N 2 0 242.323 -1.355 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647679419 385448407 /nfs/dbraw/zinc/44/84/07/385448407.db2.gz DYUPQHPNBSLWFV-MXWKQRLJSA-N 2 0 238.335 -1.242 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647679439 385459225 /nfs/dbraw/zinc/45/92/25/385459225.db2.gz GLENQYLPOGGQGO-URLYPYJESA-N 2 0 238.335 -1.527 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC000647680796 397863289 /nfs/dbraw/zinc/86/32/89/397863289.db2.gz PRWGTWPUGOPEIB-WPRPVWTQSA-N 2 0 242.323 -1.436 20 0 BAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1([NH3+])CC1 ZINC000647687103 384946295 /nfs/dbraw/zinc/94/62/95/384946295.db2.gz CEFIIGBFYGZRFU-UHFFFAOYSA-N 2 0 240.307 -1.632 20 0 BAADRP [NH3+][C@H]1C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000647690392 385468053 /nfs/dbraw/zinc/46/80/53/385468053.db2.gz LBTJQIPXMQQQIY-DTORHVGOSA-N 2 0 240.307 -1.728 20 0 BAADRP C[NH+](C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000647709980 487841177 /nfs/dbraw/zinc/84/11/77/487841177.db2.gz FEBUEFZJNIJZSU-MRVPVSSYSA-N 2 0 203.286 -1.413 20 0 BAADRP C[NH+](C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000647709981 487841245 /nfs/dbraw/zinc/84/12/45/487841245.db2.gz FEBUEFZJNIJZSU-QMMMGPOBSA-N 2 0 203.286 -1.413 20 0 BAADRP C[NH2+]CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000647744237 385960037 /nfs/dbraw/zinc/96/00/37/385960037.db2.gz ZTVWYLPHSONMOK-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C(=O)C1([NH3+])CC1 ZINC000647769949 386116684 /nfs/dbraw/zinc/11/66/84/386116684.db2.gz PROVBAIYJMHTNY-UHFFFAOYSA-N 2 0 226.324 -1.159 20 0 BAADRP COC[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777186 386563849 /nfs/dbraw/zinc/56/38/49/386563849.db2.gz DEMNLKCQVDMAIF-JTQLQIEISA-N 2 0 244.339 -1.676 20 0 BAADRP C[C@@H](C[NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777327 386563397 /nfs/dbraw/zinc/56/33/97/386563397.db2.gz KSGUBSXXIUUMLV-JTQLQIEISA-N 2 0 228.340 -1.055 20 0 BAADRP C[C@H](C[NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777328 386563801 /nfs/dbraw/zinc/56/38/01/386563801.db2.gz KSGUBSXXIUUMLV-SNVBAGLBSA-N 2 0 228.340 -1.055 20 0 BAADRP C[NH2+]CCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777364 386562731 /nfs/dbraw/zinc/56/27/31/386562731.db2.gz MPBIBYLDJRIKAG-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000647777384 386563589 /nfs/dbraw/zinc/56/35/89/386563589.db2.gz NMSVIWPRPKBNMQ-SNVBAGLBSA-N 2 0 226.324 -1.288 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C(=O)C1(C)C[NH2+]C1 ZINC000647779000 386575474 /nfs/dbraw/zinc/57/54/74/386575474.db2.gz LGGJEYHHRQFVMB-UHFFFAOYSA-N 2 0 240.351 -1.041 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000647805357 385844191 /nfs/dbraw/zinc/84/41/91/385844191.db2.gz VPJMRYWRKKWTPR-AATLWQCWSA-N 2 0 227.308 -1.082 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000647805358 385844445 /nfs/dbraw/zinc/84/44/45/385844445.db2.gz VPJMRYWRKKWTPR-DOLQZWNJSA-N 2 0 227.308 -1.082 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000647805359 385843928 /nfs/dbraw/zinc/84/39/28/385843928.db2.gz VPJMRYWRKKWTPR-QCLAVDOMSA-N 2 0 227.308 -1.082 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H](C)C[NH3+] ZINC000647811024 385862941 /nfs/dbraw/zinc/86/29/41/385862941.db2.gz FGIAJKVKPWJZMI-SCZZXKLOSA-N 2 0 244.339 -1.109 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000647811025 385863039 /nfs/dbraw/zinc/86/30/39/385863039.db2.gz FGIAJKVKPWJZMI-WPRPVWTQSA-N 2 0 244.339 -1.109 20 0 BAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@@H]1CC[NH2+]C1 ZINC000647824114 385872119 /nfs/dbraw/zinc/87/21/19/385872119.db2.gz PQGHCUFYCONRKN-LLVKDONJSA-N 2 0 240.351 -1.041 20 0 BAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@H]1CC[NH2+]C1 ZINC000647824117 385872301 /nfs/dbraw/zinc/87/23/01/385872301.db2.gz PQGHCUFYCONRKN-NSHDSACASA-N 2 0 240.351 -1.041 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CCC[NH3+] ZINC000647830586 385873127 /nfs/dbraw/zinc/87/31/27/385873127.db2.gz SQIJEPSXXRUBLN-JTQLQIEISA-N 2 0 244.339 -1.107 20 0 BAADRP C[N@H+](CCOCC[NH3+])CCN1CC[NH2+]CC1 ZINC000647835883 385880925 /nfs/dbraw/zinc/88/09/25/385880925.db2.gz SVEGNHMMIWDYFF-UHFFFAOYSA-N 3 0 230.356 -1.201 20 0 BAADRP C[C@@H](NC(=O)CN(C)CCC[NH3+])C(=O)N(C)C ZINC000647848045 385899184 /nfs/dbraw/zinc/89/91/84/385899184.db2.gz ASUODDNCRCCXRR-SECBINFHSA-N 2 0 244.339 -1.140 20 0 BAADRP C[C@H](NC(=O)CN(C)CCC[NH3+])C(=O)N(C)C ZINC000647848046 385898723 /nfs/dbraw/zinc/89/87/23/385898723.db2.gz ASUODDNCRCCXRR-VIFPVBQESA-N 2 0 244.339 -1.140 20 0 BAADRP CN1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000647872791 386141343 /nfs/dbraw/zinc/14/13/43/386141343.db2.gz UGBMTJFPSSEPQS-NXEZZACHSA-N 2 0 226.324 -1.160 20 0 BAADRP CN1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000647872792 386139487 /nfs/dbraw/zinc/13/94/87/386139487.db2.gz UGBMTJFPSSEPQS-VHSXEESVSA-N 2 0 226.324 -1.160 20 0 BAADRP CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000647874237 386132775 /nfs/dbraw/zinc/13/27/75/386132775.db2.gz JTGIOIISXIFSEK-AEJSXWLSSA-N 2 0 226.324 -1.175 20 0 BAADRP CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000647874238 386131516 /nfs/dbraw/zinc/13/15/16/386131516.db2.gz JTGIOIISXIFSEK-KXUCPTDWSA-N 2 0 226.324 -1.175 20 0 BAADRP CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000647874461 386140763 /nfs/dbraw/zinc/14/07/63/386140763.db2.gz YJUPOAXXFXOQFZ-UKKRHICBSA-N 3 0 238.335 -1.447 20 0 BAADRP CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C[NH3+])C1 ZINC000647874462 386140735 /nfs/dbraw/zinc/14/07/35/386140735.db2.gz YJUPOAXXFXOQFZ-ZNSHCXBVSA-N 3 0 238.335 -1.447 20 0 BAADRP CN(CCC(=O)N1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000647969267 386190406 /nfs/dbraw/zinc/19/04/06/386190406.db2.gz DZXKUGJPGCQJSY-UHFFFAOYSA-N 2 0 226.324 -1.288 20 0 BAADRP CN(C)C(=O)[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647989918 386379478 /nfs/dbraw/zinc/37/94/78/386379478.db2.gz DXHYQUDDIRAKDW-GHMZBOCLSA-N 2 0 240.351 -1.042 20 0 BAADRP CN(C)C(=O)[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647989919 386380089 /nfs/dbraw/zinc/38/00/89/386380089.db2.gz DXHYQUDDIRAKDW-MNOVXSKESA-N 2 0 240.351 -1.042 20 0 BAADRP CN(C)C(=O)[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647989920 386379013 /nfs/dbraw/zinc/37/90/13/386379013.db2.gz DXHYQUDDIRAKDW-QWRGUYRKSA-N 2 0 240.351 -1.042 20 0 BAADRP CN(C)C(=O)[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647989921 386378879 /nfs/dbraw/zinc/37/88/79/386378879.db2.gz DXHYQUDDIRAKDW-WDEREUQCSA-N 2 0 240.351 -1.042 20 0 BAADRP CN(CC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000647992506 386446539 /nfs/dbraw/zinc/44/65/39/386446539.db2.gz IJCONBMRIXVNFP-UHFFFAOYSA-N 3 0 214.313 -1.301 20 0 BAADRP COCC[NH2+]CCNC(=O)COC1(C)C[NH2+]C1 ZINC000648106099 387030798 /nfs/dbraw/zinc/03/07/98/387030798.db2.gz AKPJELSZNRWBDS-UHFFFAOYSA-N 2 0 245.323 -1.283 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648106273 387028605 /nfs/dbraw/zinc/02/86/05/387028605.db2.gz UBZCGMKPKSCRRF-MYJAWHEDSA-N 2 0 227.308 -1.196 20 0 BAADRP CC1(OCC(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000648110737 386782548 /nfs/dbraw/zinc/78/25/48/386782548.db2.gz KIRBMDCIVZSRRN-SECBINFHSA-N 2 0 243.307 -1.449 20 0 BAADRP CC1(OCC(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000648110738 386782740 /nfs/dbraw/zinc/78/27/40/386782740.db2.gz KIRBMDCIVZSRRN-VIFPVBQESA-N 2 0 243.307 -1.449 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000648110900 386853712 /nfs/dbraw/zinc/85/37/12/386853712.db2.gz ZAIPWLIGYLNPIX-KYXWUPHJSA-N 2 0 225.292 -1.077 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000648110901 386853911 /nfs/dbraw/zinc/85/39/11/386853911.db2.gz ZAIPWLIGYLNPIX-RGOKHQFPSA-N 2 0 225.292 -1.077 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[NH3+] ZINC000648128939 384083155 /nfs/dbraw/zinc/08/31/55/384083155.db2.gz BAASIWMMTQDGJY-APPZFPTMSA-N 2 0 230.312 -1.451 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[NH3+] ZINC000648128940 384082686 /nfs/dbraw/zinc/08/26/86/384082686.db2.gz BAASIWMMTQDGJY-CBAPKCEASA-N 2 0 230.312 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ZINC000648148092 384830486 /nfs/dbraw/zinc/83/04/86/384830486.db2.gz GOCHWODWYPCBAS-UKKRHICBSA-N 2 0 239.319 -1.054 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648148093 384831616 /nfs/dbraw/zinc/83/16/16/384831616.db2.gz GOCHWODWYPCBAS-ZNSHCXBVSA-N 2 0 239.319 -1.054 20 0 BAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648148278 384851124 /nfs/dbraw/zinc/85/11/24/384851124.db2.gz ZUMOELZXMRCVSV-AEJSXWLSSA-N 2 0 226.324 -1.257 20 0 BAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648148280 384851768 /nfs/dbraw/zinc/85/17/68/384851768.db2.gz ZUMOELZXMRCVSV-KXUCPTDWSA-N 2 0 226.324 -1.257 20 0 BAADRP COCCN(CC[NH+](C)C)C(=O)COCC[NH3+] ZINC000648152599 385295226 /nfs/dbraw/zinc/29/52/26/385295226.db2.gz KRIGBDREPBCZLY-UHFFFAOYSA-N 2 0 247.339 -1.002 20 0 BAADRP CC1(OCC(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]C1 ZINC000648177075 384537836 /nfs/dbraw/zinc/53/78/36/384537836.db2.gz BYLJNDKSPSTULU-SECBINFHSA-N 2 0 243.307 -1.531 20 0 BAADRP CC1(OCC(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]C1 ZINC000648177076 384536058 /nfs/dbraw/zinc/53/60/58/384536058.db2.gz BYLJNDKSPSTULU-VIFPVBQESA-N 2 0 243.307 -1.531 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648177142 384539262 /nfs/dbraw/zinc/53/92/62/384539262.db2.gz KVQFEHQCEWEOGB-KYXWUPHJSA-N 2 0 225.292 -1.159 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648177143 384539714 /nfs/dbraw/zinc/53/97/14/384539714.db2.gz KVQFEHQCEWEOGB-RGOKHQFPSA-N 2 0 225.292 -1.159 20 0 BAADRP CN(CC[NH3+])C(=O)COC1(C)C[NH2+]C1 ZINC000648177901 384593612 /nfs/dbraw/zinc/59/36/12/384593612.db2.gz ZYVCYUBMDNSGTP-UHFFFAOYSA-N 2 0 201.270 -1.218 20 0 BAADRP O=C([C@H]1CCC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000648179130 384297927 /nfs/dbraw/zinc/29/79/27/384297927.db2.gz DYOJOIKGPGVJRC-KXUCPTDWSA-N 2 0 225.292 -1.062 20 0 BAADRP C[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000649269717 388480288 /nfs/dbraw/zinc/48/02/88/388480288.db2.gz 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CC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653048272 411404443 /nfs/dbraw/zinc/40/44/43/411404443.db2.gz UDCDVFJWPPHHKI-ONGXEEELSA-N 2 0 227.308 -1.052 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653126004 409835522 /nfs/dbraw/zinc/83/55/22/409835522.db2.gz GIAKRLUOZQTEHD-QXEWZRGKSA-N 2 0 227.308 -1.067 20 0 BAADRP C[C@H](C[NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653126005 409836334 /nfs/dbraw/zinc/83/63/34/409836334.db2.gz GIAKRLUOZQTEHD-YWVKMMECSA-N 2 0 227.308 -1.067 20 0 BAADRP O=C(NCC1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653127473 409838760 /nfs/dbraw/zinc/83/87/60/409838760.db2.gz BQGBNKWEZSENJR-ONGXEEELSA-N 2 0 225.292 -1.442 20 0 BAADRP C[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653130446 409846849 /nfs/dbraw/zinc/84/68/49/409846849.db2.gz LOBOWVJQYAAMPY-WEDXCCLWSA-N 2 0 213.281 -1.314 20 0 BAADRP C[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653136437 409856480 /nfs/dbraw/zinc/85/64/80/409856480.db2.gz PQINSTKGNSSIEH-NRPADANISA-N 2 0 213.281 -1.314 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653136438 409856554 /nfs/dbraw/zinc/85/65/54/409856554.db2.gz PQINSTKGNSSIEH-WEDXCCLWSA-N 2 0 213.281 -1.314 20 0 BAADRP C[NH+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653139604 409860193 /nfs/dbraw/zinc/86/01/93/409860193.db2.gz OGKJAXLEIXBBKQ-ONGXEEELSA-N 2 0 227.308 -1.100 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653141852 487702021 /nfs/dbraw/zinc/70/20/21/487702021.db2.gz LNQMGLJOEDFIDL-YOQJGNTNSA-N 2 0 237.303 -1.444 20 0 BAADRP CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653163570 410110735 /nfs/dbraw/zinc/11/07/35/410110735.db2.gz HNVCSQMEMWWNTL-WPRPVWTQSA-N 2 0 213.281 -1.361 20 0 BAADRP CCO[C@@H]1CN(C(=O)COCC[NH3+])C[C@H]1C[NH3+] ZINC000653243476 410183405 /nfs/dbraw/zinc/18/34/05/410183405.db2.gz DKHOEKONSWUQKO-NXEZZACHSA-N 2 0 245.323 -1.216 20 0 BAADRP CCO[C@@H]1CN(C(=O)C[NH3+])C[C@H]1C[NH3+] ZINC000653243996 410183535 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C[C@H](CO)[NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285013 410644782 /nfs/dbraw/zinc/64/47/82/410644782.db2.gz AJVFDCWWNXOPGM-BDAKNGLRSA-N 2 0 243.307 -1.354 20 0 BAADRP C[C@@H](CO)[NH2+][C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285014 410644960 /nfs/dbraw/zinc/64/49/60/410644960.db2.gz AJVFDCWWNXOPGM-DTWKUNHWSA-N 2 0 243.307 -1.354 20 0 BAADRP C[C@@H](CO)[NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285015 410645287 /nfs/dbraw/zinc/64/52/87/410645287.db2.gz AJVFDCWWNXOPGM-IUCAKERBSA-N 2 0 243.307 -1.354 20 0 BAADRP C[C@H](CO)[NH2+][C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285016 410644486 /nfs/dbraw/zinc/64/44/86/410644486.db2.gz AJVFDCWWNXOPGM-RKDXNWHRSA-N 2 0 243.307 -1.354 20 0 BAADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000653562665 411422465 /nfs/dbraw/zinc/42/24/65/411422465.db2.gz DMVOTBBVYQRGJA-AXFHLTTASA-N 2 0 232.324 -1.274 20 0 BAADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000653562666 411422616 /nfs/dbraw/zinc/42/26/16/411422616.db2.gz DMVOTBBVYQRGJA-OUAUKWLOSA-N 2 0 232.324 -1.274 20 0 BAADRP C[NH2+][C@@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000655414791 410218307 /nfs/dbraw/zinc/21/83/07/410218307.db2.gz SRGRTJYCANFKDB-JTQLQIEISA-N 2 0 228.340 -1.042 20 0 BAADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655504619 411115014 /nfs/dbraw/zinc/11/50/14/411115014.db2.gz GGJFHWYTQJHEOV-NTSWFWBYSA-N 2 0 241.213 -1.019 20 0 BAADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655504620 411115333 /nfs/dbraw/zinc/11/53/33/411115333.db2.gz GGJFHWYTQJHEOV-PHDIDXHHSA-N 2 0 241.213 -1.019 20 0 BAADRP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655504621 411114999 /nfs/dbraw/zinc/11/49/99/411114999.db2.gz GGJFHWYTQJHEOV-RITPCOANSA-N 2 0 241.213 -1.019 20 0 BAADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000655504622 411115401 /nfs/dbraw/zinc/11/54/01/411115401.db2.gz GGJFHWYTQJHEOV-WDSKDSINSA-N 2 0 241.213 -1.019 20 0 BAADRP [NH3+]CCOCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505176 487770402 /nfs/dbraw/zinc/77/04/02/487770402.db2.gz REQWZSVJQMKUSZ-RXMQYKEDSA-N 2 0 229.202 -1.033 20 0 BAADRP [NH3+]CCOCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505177 487770458 /nfs/dbraw/zinc/77/04/58/487770458.db2.gz REQWZSVJQMKUSZ-YFKPBYRVSA-N 2 0 229.202 -1.033 20 0 BAADRP C[NH2+]C[C@@](C)(O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655945435 411161042 /nfs/dbraw/zinc/16/10/42/411161042.db2.gz CPDDNUUSKLDBHM-QJPTWQEYSA-N 2 0 243.351 -1.292 20 0 BAADRP C[NH2+]C[C@](C)(O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655945436 411161643 /nfs/dbraw/zinc/16/16/43/411161643.db2.gz CPDDNUUSKLDBHM-TUAOUCFPSA-N 2 0 243.351 -1.292 20 0 BAADRP [NH3+]CCOCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655945690 411161853 /nfs/dbraw/zinc/16/18/53/411161853.db2.gz DYULWYXDJVRBPW-WDEREUQCSA-N 2 0 229.324 -1.288 20 0 BAADRP C[NH2+]CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655962508 411164056 /nfs/dbraw/zinc/16/40/56/411164056.db2.gz MZEVHBLWISJNJK-VHSXEESVSA-N 2 0 242.323 -1.334 20 0 BAADRP [NH3+]CCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655962760 411163942 /nfs/dbraw/zinc/16/39/42/411163942.db2.gz PQDUXVZLZSMSNZ-VHSXEESVSA-N 2 0 242.323 -1.204 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967480 411164459 /nfs/dbraw/zinc/16/44/59/411164459.db2.gz WOYHHCVMARMGLF-KXUCPTDWSA-N 2 0 242.323 -1.206 20 0 BAADRP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967481 411164336 /nfs/dbraw/zinc/16/43/36/411164336.db2.gz WOYHHCVMARMGLF-LPEHRKFASA-N 2 0 242.323 -1.206 20 0 BAADRP C[NH2+]CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357771 411402100 /nfs/dbraw/zinc/40/21/00/411402100.db2.gz MGOQFCSTPZQKIS-UHFFFAOYSA-N 2 0 244.339 -1.316 20 0 BAADRP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358108 411402215 /nfs/dbraw/zinc/40/22/15/411402215.db2.gz PDQAGPSYJVGOBV-SECBINFHSA-N 2 0 244.339 -1.188 20 0 BAADRP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358109 411402306 /nfs/dbraw/zinc/40/23/06/411402306.db2.gz PDQAGPSYJVGOBV-VIFPVBQESA-N 2 0 244.339 -1.188 20 0 BAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[NH3+] ZINC000659359267 411401772 /nfs/dbraw/zinc/40/17/72/411401772.db2.gz XSLYIFHZQXYXAH-UHFFFAOYSA-N 2 0 244.339 -1.186 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000659507375 411424111 /nfs/dbraw/zinc/42/41/11/411424111.db2.gz JIUGYHZBGYDOPD-JTQLQIEISA-N 2 0 243.355 -1.201 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000659507376 411424250 /nfs/dbraw/zinc/42/42/50/411424250.db2.gz JIUGYHZBGYDOPD-SNVBAGLBSA-N 2 0 243.355 -1.201 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659553253 411435439 /nfs/dbraw/zinc/43/54/39/411435439.db2.gz IHGMSOYOMWQASG-BDAKNGLRSA-N 2 0 230.312 -1.118 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659553254 411435454 /nfs/dbraw/zinc/43/54/54/411435454.db2.gz IHGMSOYOMWQASG-DTWKUNHWSA-N 2 0 230.312 -1.118 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659553255 411435484 /nfs/dbraw/zinc/43/54/84/411435484.db2.gz IHGMSOYOMWQASG-IUCAKERBSA-N 2 0 230.312 -1.118 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659553257 411435408 /nfs/dbraw/zinc/43/54/08/411435408.db2.gz IHGMSOYOMWQASG-RKDXNWHRSA-N 2 0 230.312 -1.118 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659564154 411177038 /nfs/dbraw/zinc/17/70/38/411177038.db2.gz MXEWSIZUJMDMPT-DTWKUNHWSA-N 2 0 228.296 -1.283 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659564155 411177110 /nfs/dbraw/zinc/17/71/10/411177110.db2.gz MXEWSIZUJMDMPT-IUCAKERBSA-N 2 0 228.296 -1.283 20 0 BAADRP O=C(N[C@H]1CC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC000659564200 411177010 /nfs/dbraw/zinc/17/70/10/411177010.db2.gz VVBDWZNNHSLJGM-VIFPVBQESA-N 2 0 240.307 -1.268 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000659641788 411277628 /nfs/dbraw/zinc/27/76/28/411277628.db2.gz HWSOSOMASZAFOT-SECBINFHSA-N 2 0 242.323 -1.022 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000659641789 411277514 /nfs/dbraw/zinc/27/75/14/411277514.db2.gz HWSOSOMASZAFOT-VIFPVBQESA-N 2 0 242.323 -1.022 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000659642723 411277899 /nfs/dbraw/zinc/27/78/99/411277899.db2.gz LOASCOJKNAMPND-BDAKNGLRSA-N 2 0 230.312 -1.037 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000659642725 411277635 /nfs/dbraw/zinc/27/76/35/411277635.db2.gz LOASCOJKNAMPND-DTWKUNHWSA-N 2 0 230.312 -1.037 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000659642730 411277395 /nfs/dbraw/zinc/27/73/95/411277395.db2.gz LOASCOJKNAMPND-IUCAKERBSA-N 2 0 230.312 -1.037 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000659642731 411277565 /nfs/dbraw/zinc/27/75/65/411277565.db2.gz LOASCOJKNAMPND-RKDXNWHRSA-N 2 0 230.312 -1.037 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000659642875 411447338 /nfs/dbraw/zinc/44/73/38/411447338.db2.gz ZPHSRJIONHZARO-GXSJLCMTSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000659642877 411447244 /nfs/dbraw/zinc/44/72/44/411447244.db2.gz ZPHSRJIONHZARO-KOLCDFICSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000659642879 411447327 /nfs/dbraw/zinc/44/73/27/411447327.db2.gz ZPHSRJIONHZARO-MWLCHTKSSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000659642881 411446886 /nfs/dbraw/zinc/44/68/86/411446886.db2.gz ZPHSRJIONHZARO-ONGXEEELSA-N 2 0 244.339 -1.040 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659643132 411289383 /nfs/dbraw/zinc/28/93/83/411289383.db2.gz NZKRUUNAOAJVLW-NXEZZACHSA-N 2 0 243.355 -1.121 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659643133 411289440 /nfs/dbraw/zinc/28/94/40/411289440.db2.gz NZKRUUNAOAJVLW-UWVGGRQHSA-N 2 0 243.355 -1.121 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659643134 411288964 /nfs/dbraw/zinc/28/89/64/411288964.db2.gz NZKRUUNAOAJVLW-VHSXEESVSA-N 2 0 243.355 -1.121 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659643135 411289404 /nfs/dbraw/zinc/28/94/04/411289404.db2.gz NZKRUUNAOAJVLW-ZJUUUORDSA-N 2 0 243.355 -1.121 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000659748751 411450025 /nfs/dbraw/zinc/45/00/25/411450025.db2.gz ASAOHSQFPAWLIP-SECBINFHSA-N 2 0 244.339 -1.270 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000659748752 411449907 /nfs/dbraw/zinc/44/99/07/411449907.db2.gz ASAOHSQFPAWLIP-VIFPVBQESA-N 2 0 244.339 -1.270 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C[C@H]1C[NH2+]CCO1 ZINC000662245516 412041790 /nfs/dbraw/zinc/04/17/90/412041790.db2.gz KJQIVGCSFXVCPI-GFCCVEGCSA-N 2 0 242.367 -1.188 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C[C@@H]1C[NH2+]CCO1 ZINC000662245524 412041652 /nfs/dbraw/zinc/04/16/52/412041652.db2.gz KJQIVGCSFXVCPI-LBPRGKRZSA-N 2 0 242.367 -1.188 20 0 BAADRP CN(C[C@H](O)C[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278504 412071720 /nfs/dbraw/zinc/07/17/20/412071720.db2.gz YUZRPOSHXXMSJM-NXEZZACHSA-N 2 0 229.324 -1.241 20 0 BAADRP CN(C[C@@H](O)C[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278505 412070795 /nfs/dbraw/zinc/07/07/95/412070795.db2.gz YUZRPOSHXXMSJM-UWVGGRQHSA-N 2 0 229.324 -1.241 20 0 BAADRP CN(C[C@@H](O)C[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278506 412071055 /nfs/dbraw/zinc/07/10/55/412071055.db2.gz YUZRPOSHXXMSJM-VHSXEESVSA-N 2 0 229.324 -1.241 20 0 BAADRP CN(C[C@H](O)C[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278507 412071288 /nfs/dbraw/zinc/07/12/88/412071288.db2.gz YUZRPOSHXXMSJM-ZJUUUORDSA-N 2 0 229.324 -1.241 20 0 BAADRP O[C@@H]1C[C@H]2CN(C[C@H]3C[NH2+]CCO3)CC[N@@H+]2C1 ZINC000662283283 409610285 /nfs/dbraw/zinc/61/02/85/409610285.db2.gz HADYUBHUIZLYFD-QJPTWQEYSA-N 2 0 241.335 -1.274 20 0 BAADRP O[C@@H]1C[C@H]2CN(C[C@@H]3C[NH2+]CCO3)CC[N@@H+]2C1 ZINC000662283284 409610773 /nfs/dbraw/zinc/61/07/73/409610773.db2.gz HADYUBHUIZLYFD-TUAOUCFPSA-N 2 0 241.335 -1.274 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H]1C[NH2+]CCO1 ZINC000662286657 412077135 /nfs/dbraw/zinc/07/71/35/412077135.db2.gz VSJARUMEIVXBET-NXEZZACHSA-N 2 0 233.312 -2.411 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1C[NH2+]CCO1 ZINC000662286658 412077463 /nfs/dbraw/zinc/07/74/63/412077463.db2.gz VSJARUMEIVXBET-UWVGGRQHSA-N 2 0 233.312 -2.411 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1C[NH2+]CCO1 ZINC000662286659 412076834 /nfs/dbraw/zinc/07/68/34/412076834.db2.gz VSJARUMEIVXBET-VHSXEESVSA-N 2 0 233.312 -2.411 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1C[NH2+]CCO1 ZINC000662286660 412076709 /nfs/dbraw/zinc/07/67/09/412076709.db2.gz VSJARUMEIVXBET-ZJUUUORDSA-N 2 0 233.312 -2.411 20 0 BAADRP [NH3+]CCN(CC[C@H]1CCC[NH2+]C1)C[C@H](O)CO ZINC000662287439 487537629 /nfs/dbraw/zinc/53/76/29/487537629.db2.gz ADAMNQKZKDTYDN-NEPJUHHUSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(CC[C@@H]1CCC[NH2+]C1)C[C@@H](O)CO ZINC000662287440 487537433 /nfs/dbraw/zinc/53/74/33/487537433.db2.gz ADAMNQKZKDTYDN-NWDGAFQWSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(CC[C@@H]1CCC[NH2+]C1)C[C@H](O)CO ZINC000662287441 487537397 /nfs/dbraw/zinc/53/73/97/487537397.db2.gz ADAMNQKZKDTYDN-RYUDHWBXSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(CC[C@H]1CCC[NH2+]C1)C[C@@H](O)CO ZINC000662287442 487538352 /nfs/dbraw/zinc/53/83/52/487538352.db2.gz ADAMNQKZKDTYDN-VXGBXAGGSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(CC[C@H]1CC[NH2+]C1)C[C@@H](O)CO ZINC000662287605 412080225 /nfs/dbraw/zinc/08/02/25/412080225.db2.gz DXVVYTYYTFHBIO-GHMZBOCLSA-N 2 0 231.340 -1.400 20 0 BAADRP [NH3+]CCN(CC[C@H]1CC[NH2+]C1)C[C@H](O)CO ZINC000662287606 412080449 /nfs/dbraw/zinc/08/04/49/412080449.db2.gz DXVVYTYYTFHBIO-MNOVXSKESA-N 2 0 231.340 -1.400 20 0 BAADRP [NH3+]CCN(CC[C@@H]1CC[NH2+]C1)C[C@H](O)CO ZINC000662287607 412079050 /nfs/dbraw/zinc/07/90/50/412079050.db2.gz DXVVYTYYTFHBIO-QWRGUYRKSA-N 2 0 231.340 -1.400 20 0 BAADRP [NH3+]CCN(CC[C@@H]1CC[NH2+]C1)C[C@@H](O)CO ZINC000662287608 412079074 /nfs/dbraw/zinc/07/90/74/412079074.db2.gz DXVVYTYYTFHBIO-WDEREUQCSA-N 2 0 231.340 -1.400 20 0 BAADRP C[NH2+]CCCN(CC[NH3+])C[C@@H](O)CO ZINC000662287983 412080078 /nfs/dbraw/zinc/08/00/78/412080078.db2.gz LKQKZRTVNNDAFY-SECBINFHSA-N 2 0 205.302 -1.790 20 0 BAADRP C[NH2+]CCCN(CC[NH3+])C[C@H](O)CO ZINC000662287984 412079496 /nfs/dbraw/zinc/07/94/96/412079496.db2.gz LKQKZRTVNNDAFY-VIFPVBQESA-N 2 0 205.302 -1.790 20 0 BAADRP [NH3+]CCN(CCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662288294 412079042 /nfs/dbraw/zinc/07/90/42/412079042.db2.gz NTRNGUBAVLNCFA-GFCCVEGCSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(CCC1CC[NH2+]CC1)C[C@H](O)CO ZINC000662288295 412080295 /nfs/dbraw/zinc/08/02/95/412080295.db2.gz NTRNGUBAVLNCFA-LBPRGKRZSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)CC1CC[NH2+]CC1 ZINC000662289249 412080500 /nfs/dbraw/zinc/08/05/00/412080500.db2.gz YNWSNTGFJFPJTD-LLVKDONJSA-N 2 0 231.340 -1.400 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)CC1CC[NH2+]CC1 ZINC000662289251 412078980 /nfs/dbraw/zinc/07/89/80/412078980.db2.gz YNWSNTGFJFPJTD-NSHDSACASA-N 2 0 231.340 -1.400 20 0 BAADRP O=C(NCCCN1CC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC000662390837 412141416 /nfs/dbraw/zinc/14/14/16/412141416.db2.gz PQCBUJLJXAAGNO-UHFFFAOYSA-N 2 0 242.323 -2.268 20 0 BAADRP C[NH2+]C[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662391827 412142883 /nfs/dbraw/zinc/14/28/83/412142883.db2.gz JVRYNENYSXZMCA-SECBINFHSA-N 2 0 227.308 -1.221 20 0 BAADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662391828 412143189 /nfs/dbraw/zinc/14/31/89/412143189.db2.gz JVRYNENYSXZMCA-VIFPVBQESA-N 2 0 227.308 -1.221 20 0 BAADRP [NH3+]CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662394834 412144625 /nfs/dbraw/zinc/14/46/25/412144625.db2.gz CVOAVELDRGNKED-UHFFFAOYSA-N 2 0 213.281 -1.482 20 0 BAADRP O=C(NCC1CC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC000662395042 412144255 /nfs/dbraw/zinc/14/42/55/412144255.db2.gz IHIDCDHKPQDJLM-UHFFFAOYSA-N 2 0 213.281 -1.564 20 0 BAADRP CC[NH2+]CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662399771 412149369 /nfs/dbraw/zinc/14/93/69/412149369.db2.gz UBKOINLMQNBHDE-UHFFFAOYSA-N 2 0 201.270 -1.564 20 0 BAADRP [NH3+][C@H]1C[C@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000662400200 412148576 /nfs/dbraw/zinc/14/85/76/412148576.db2.gz MMUJFIZLJQDBSP-MGCOHNPYSA-N 2 0 226.324 -1.255 20 0 BAADRP [NH3+]C1(CC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000662400359 412148786 /nfs/dbraw/zinc/14/87/86/412148786.db2.gz TZVFVAWIZRJDKW-UHFFFAOYSA-N 2 0 226.324 -1.111 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC000662400660 412148807 /nfs/dbraw/zinc/14/88/07/412148807.db2.gz DGUAKPDOPYFWTG-UHFFFAOYSA-N 2 0 228.296 -2.658 20 0 BAADRP CC[C@@H]([NH2+]C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000662401065 487599114 /nfs/dbraw/zinc/59/91/14/487599114.db2.gz IQCXENXNULCUHQ-SECBINFHSA-N 2 0 242.323 -1.468 20 0 BAADRP CC[C@H]([NH2+]C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000662401066 487599156 /nfs/dbraw/zinc/59/91/56/487599156.db2.gz IQCXENXNULCUHQ-VIFPVBQESA-N 2 0 242.323 -1.468 20 0 BAADRP [NH3+][C@H]1C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000662401253 412149362 /nfs/dbraw/zinc/14/93/62/412149362.db2.gz LBTJQIPXMQQQIY-KYZUINATSA-N 2 0 240.307 -1.728 20 0 BAADRP O=C(NC[C@H]1CCCC[NH2+]1)C1(O)C[NH2+]C1 ZINC000662402829 412150151 /nfs/dbraw/zinc/15/01/51/412150151.db2.gz OOCQEAUOQVVJRO-MRVPVSSYSA-N 2 0 213.281 -1.421 20 0 BAADRP O=C(NC[C@@H]1CCCC[NH2+]1)C1(O)C[NH2+]C1 ZINC000662402830 412150732 /nfs/dbraw/zinc/15/07/32/412150732.db2.gz OOCQEAUOQVVJRO-QMMMGPOBSA-N 2 0 213.281 -1.421 20 0 BAADRP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000662403092 412150097 /nfs/dbraw/zinc/15/00/97/412150097.db2.gz IJXQKNBIDJZAER-BDAKNGLRSA-N 2 0 227.308 -1.175 20 0 BAADRP C[C@H](NC(=O)C1(O)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000662403093 412150318 /nfs/dbraw/zinc/15/03/18/412150318.db2.gz IJXQKNBIDJZAER-DTWKUNHWSA-N 2 0 227.308 -1.175 20 0 BAADRP C[C@H](NC(=O)C1(O)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000662403094 412150206 /nfs/dbraw/zinc/15/02/06/412150206.db2.gz IJXQKNBIDJZAER-IUCAKERBSA-N 2 0 227.308 -1.175 20 0 BAADRP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000662403095 412150444 /nfs/dbraw/zinc/15/04/44/412150444.db2.gz IJXQKNBIDJZAER-RKDXNWHRSA-N 2 0 227.308 -1.175 20 0 BAADRP O=C(NC[C@@H]1CCC[NH2+]C1)C1(O)C[NH2+]C1 ZINC000662404883 412151579 /nfs/dbraw/zinc/15/15/79/412151579.db2.gz JPIGHMKPTSGGEE-MRVPVSSYSA-N 2 0 213.281 -1.564 20 0 BAADRP O=C(NC[C@H]1CCC[NH2+]C1)C1(O)C[NH2+]C1 ZINC000662404884 412151600 /nfs/dbraw/zinc/15/16/00/412151600.db2.gz JPIGHMKPTSGGEE-QMMMGPOBSA-N 2 0 213.281 -1.564 20 0 BAADRP [NH3+]C1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662406325 412152132 /nfs/dbraw/zinc/15/21/32/412152132.db2.gz XJTAZYYDMKIWPY-UHFFFAOYSA-N 2 0 213.281 -1.293 20 0 BAADRP C[NH2+][C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662406535 412151770 /nfs/dbraw/zinc/15/17/70/412151770.db2.gz GFHOEKPAUMSABU-MRVPVSSYSA-N 2 0 213.281 -1.469 20 0 BAADRP C[NH2+][C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662406538 412151286 /nfs/dbraw/zinc/15/12/86/412151286.db2.gz GFHOEKPAUMSABU-QMMMGPOBSA-N 2 0 213.281 -1.469 20 0 BAADRP CC(C)[NH2+]CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662408980 412154326 /nfs/dbraw/zinc/15/43/26/412154326.db2.gz CCILEEMKSPUDNW-UHFFFAOYSA-N 2 0 215.297 -1.175 20 0 BAADRP C[C@@H]([NH3+])C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662409371 412154774 /nfs/dbraw/zinc/15/47/74/412154774.db2.gz JBSPQVKASAKSTF-MRVPVSSYSA-N 2 0 227.308 -1.094 20 0 BAADRP C[C@H]([NH3+])C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662409372 412154832 /nfs/dbraw/zinc/15/48/32/412154832.db2.gz JBSPQVKASAKSTF-QMMMGPOBSA-N 2 0 227.308 -1.094 20 0 BAADRP O=C(NCC[C@H]1CC[NH2+]C1)C1(O)C[NH2+]C1 ZINC000662413637 487602977 /nfs/dbraw/zinc/60/29/77/487602977.db2.gz OYEGXLQGNSIOBS-MRVPVSSYSA-N 2 0 213.281 -1.564 20 0 BAADRP O=C(NCC[C@@H]1CC[NH2+]C1)C1(O)C[NH2+]C1 ZINC000662413639 487603394 /nfs/dbraw/zinc/60/33/94/487603394.db2.gz OYEGXLQGNSIOBS-QMMMGPOBSA-N 2 0 213.281 -1.564 20 0 BAADRP C[NH2+]CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662413754 412157305 /nfs/dbraw/zinc/15/73/05/412157305.db2.gz JGXVWOJFVFQVMB-UHFFFAOYSA-N 2 0 227.308 -1.221 20 0 BAADRP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000662416195 412158264 /nfs/dbraw/zinc/15/82/64/412158264.db2.gz WHFNLMITBBUGGX-HTQZYQBOSA-N 2 0 213.281 -1.471 20 0 BAADRP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000662416196 412158540 /nfs/dbraw/zinc/15/85/40/412158540.db2.gz WHFNLMITBBUGGX-OCAPTIKFSA-N 2 0 213.281 -1.471 20 0 BAADRP C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000662416197 412158212 /nfs/dbraw/zinc/15/82/12/412158212.db2.gz WHFNLMITBBUGGX-YUMQZZPRSA-N 2 0 213.281 -1.471 20 0 BAADRP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000662416647 412159007 /nfs/dbraw/zinc/15/90/07/412159007.db2.gz FEUSVULUCVOSEZ-HTQZYQBOSA-N 2 0 213.281 -1.484 20 0 BAADRP C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000662416649 412158882 /nfs/dbraw/zinc/15/88/82/412158882.db2.gz FEUSVULUCVOSEZ-JGVFFNPUSA-N 2 0 213.281 -1.484 20 0 BAADRP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000662416651 412158555 /nfs/dbraw/zinc/15/85/55/412158555.db2.gz FEUSVULUCVOSEZ-SFYZADRCSA-N 2 0 213.281 -1.484 20 0 BAADRP C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000662416653 412158608 /nfs/dbraw/zinc/15/86/08/412158608.db2.gz FEUSVULUCVOSEZ-YUMQZZPRSA-N 2 0 213.281 -1.484 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662419590 412161462 /nfs/dbraw/zinc/16/14/62/412161462.db2.gz KKMUAMPXPWAEEU-BDAKNGLRSA-N 2 0 227.308 -1.094 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662419591 412161846 /nfs/dbraw/zinc/16/18/46/412161846.db2.gz KKMUAMPXPWAEEU-DTWKUNHWSA-N 2 0 227.308 -1.094 20 0 BAADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662419592 412161065 /nfs/dbraw/zinc/16/10/65/412161065.db2.gz KKMUAMPXPWAEEU-IUCAKERBSA-N 2 0 227.308 -1.094 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662419593 412161045 /nfs/dbraw/zinc/16/10/45/412161045.db2.gz KKMUAMPXPWAEEU-RKDXNWHRSA-N 2 0 227.308 -1.094 20 0 BAADRP CC(C)[C@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 ZINC000662420517 412161428 /nfs/dbraw/zinc/16/14/28/412161428.db2.gz AHXHJUMFMSPGMK-SSDOTTSWSA-N 2 0 201.270 -1.580 20 0 BAADRP CC(C)[C@@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 ZINC000662420522 412161331 /nfs/dbraw/zinc/16/13/31/412161331.db2.gz AHXHJUMFMSPGMK-ZETCQYMHSA-N 2 0 201.270 -1.580 20 0 BAADRP CCC([NH3+])(CC)CNC(=O)C1(O)C[NH2+]C1 ZINC000662425594 412165871 /nfs/dbraw/zinc/16/58/71/412165871.db2.gz KKHZFELRUZTMMC-UHFFFAOYSA-N 2 0 215.297 -1.046 20 0 BAADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1(O)C[NH2+]C1 ZINC000662426077 412165614 /nfs/dbraw/zinc/16/56/14/412165614.db2.gz SFMGVBLYZVWIQP-BDAKNGLRSA-N 2 0 225.292 -1.326 20 0 BAADRP CN(CC(C)(C)C[NH3+])C(=O)C1(O)C[NH2+]C1 ZINC000662426755 412165172 /nfs/dbraw/zinc/16/51/72/412165172.db2.gz BMKMYKIVSHULKX-UHFFFAOYSA-N 2 0 215.297 -1.236 20 0 BAADRP CN1CCN(C(=O)CC2([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000662428096 412167038 /nfs/dbraw/zinc/16/70/38/412167038.db2.gz HAKAWBNJFMCQFU-SECBINFHSA-N 3 0 226.324 -1.031 20 0 BAADRP CN1CCN(C(=O)CC2([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000662428100 412166660 /nfs/dbraw/zinc/16/66/60/412166660.db2.gz HAKAWBNJFMCQFU-VIFPVBQESA-N 3 0 226.324 -1.031 20 0 BAADRP CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000662428581 412166524 /nfs/dbraw/zinc/16/65/24/412166524.db2.gz JTGIOIISXIFSEK-GUBZILKMSA-N 3 0 226.324 -1.175 20 0 BAADRP CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000662428582 412167024 /nfs/dbraw/zinc/16/70/24/412167024.db2.gz JTGIOIISXIFSEK-OPRDCNLKSA-N 3 0 226.324 -1.175 20 0 BAADRP CCCC[C@H](C[NH3+])NC(=O)C1(O)C[NH2+]C1 ZINC000662430552 491100999 /nfs/dbraw/zinc/10/09/99/491100999.db2.gz ZXGGLLPDSMQDHI-MRVPVSSYSA-N 2 0 215.297 -1.046 20 0 BAADRP CCCC[C@@H](C[NH3+])NC(=O)C1(O)C[NH2+]C1 ZINC000662430553 491101004 /nfs/dbraw/zinc/10/10/04/491101004.db2.gz ZXGGLLPDSMQDHI-QMMMGPOBSA-N 2 0 215.297 -1.046 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662430694 412168527 /nfs/dbraw/zinc/16/85/27/412168527.db2.gz AYUKVCLNOQTGQJ-HTQZYQBOSA-N 2 0 229.280 -2.105 20 0 BAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662430695 412167894 /nfs/dbraw/zinc/16/78/94/412167894.db2.gz AYUKVCLNOQTGQJ-JGVFFNPUSA-N 2 0 229.280 -2.105 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662430696 412168690 /nfs/dbraw/zinc/16/86/90/412168690.db2.gz AYUKVCLNOQTGQJ-SFYZADRCSA-N 2 0 229.280 -2.105 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662430697 412168467 /nfs/dbraw/zinc/16/84/67/412168467.db2.gz AYUKVCLNOQTGQJ-YUMQZZPRSA-N 2 0 229.280 -2.105 20 0 BAADRP CCC[NH2+]CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662550052 412212571 /nfs/dbraw/zinc/21/25/71/412212571.db2.gz YXRJYGMXBPZFHP-UHFFFAOYSA-N 2 0 240.311 -1.034 20 0 BAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662553505 412214865 /nfs/dbraw/zinc/21/48/65/412214865.db2.gz KLXKGJPMYPXUOW-UWVGGRQHSA-N 2 0 245.323 -1.075 20 0 BAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662553506 412215171 /nfs/dbraw/zinc/21/51/71/412215171.db2.gz KLXKGJPMYPXUOW-ZJUUUORDSA-N 2 0 245.323 -1.075 20 0 BAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)O1 ZINC000662565072 412220120 /nfs/dbraw/zinc/22/01/20/412220120.db2.gz FVWBQXPUSUOROM-SPFKKGSWSA-N 2 0 225.292 -1.303 20 0 BAADRP C[C@H](CCNC(=O)CNC(=O)C[NH3+])[NH+](C)C ZINC000662635422 412251352 /nfs/dbraw/zinc/25/13/52/412251352.db2.gz VLLLCTZPBQGVEW-MRVPVSSYSA-N 2 0 230.312 -1.482 20 0 BAADRP C[C@@H](CCNC(=O)CNC(=O)C[NH3+])[NH+](C)C ZINC000662635423 412251492 /nfs/dbraw/zinc/25/14/92/412251492.db2.gz VLLLCTZPBQGVEW-QMMMGPOBSA-N 2 0 230.312 -1.482 20 0 BAADRP [NH3+]CC(=O)NCC(=O)NCC1([NH3+])CCCC1 ZINC000662649379 412256294 /nfs/dbraw/zinc/25/62/94/412256294.db2.gz NQIIXXXJOOWGMN-UHFFFAOYSA-N 2 0 228.296 -1.551 20 0 BAADRP CC[NH+](CC)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662660138 412260829 /nfs/dbraw/zinc/26/08/29/412260829.db2.gz UAYTUWNKVSNIND-UHFFFAOYSA-N 2 0 215.297 -1.221 20 0 BAADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662660154 412260648 /nfs/dbraw/zinc/26/06/48/412260648.db2.gz BVODXYASXNVZRN-SECBINFHSA-N 2 0 227.308 -1.079 20 0 BAADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662660157 412260950 /nfs/dbraw/zinc/26/09/50/412260950.db2.gz BVODXYASXNVZRN-VIFPVBQESA-N 2 0 227.308 -1.079 20 0 BAADRP C[NH+](C)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662660658 490121986 /nfs/dbraw/zinc/12/19/86/490121986.db2.gz YERUBSRWJYTNOZ-UHFFFAOYSA-N 2 0 201.270 -1.611 20 0 BAADRP C[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662661771 412261428 /nfs/dbraw/zinc/26/14/28/412261428.db2.gz HSWSSMZITXZKTR-UHFFFAOYSA-N 2 0 213.281 -1.469 20 0 BAADRP C[NH+](C)C(C)(C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662663687 412262320 /nfs/dbraw/zinc/26/23/20/412262320.db2.gz PFQYMHWRYRDZDS-UHFFFAOYSA-N 2 0 215.297 -1.223 20 0 BAADRP CC[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662666126 412265205 /nfs/dbraw/zinc/26/52/05/412265205.db2.gz QTEWVHQHJHHCSB-UHFFFAOYSA-N 2 0 227.308 -1.079 20 0 BAADRP O=C(NCC[NH+]1CCCC1)C1(O)C[NH2+]C1 ZINC000662668732 412265696 /nfs/dbraw/zinc/26/56/96/412265696.db2.gz QMKLQFZSWCCFEP-UHFFFAOYSA-N 2 0 213.281 -1.467 20 0 BAADRP O=C(NCC[NH+]1CCCCC1)C1(O)C[NH2+]C1 ZINC000662670202 412265809 /nfs/dbraw/zinc/26/58/09/412265809.db2.gz UXSPNSNMZGJQCQ-UHFFFAOYSA-N 2 0 227.308 -1.077 20 0 BAADRP O=C(NCCC[NH+]1CCCC1)C1(O)C[NH2+]C1 ZINC000662670367 412266000 /nfs/dbraw/zinc/26/60/00/412266000.db2.gz GNLKUPUSNAEQMG-UHFFFAOYSA-N 2 0 227.308 -1.077 20 0 BAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000662680567 412268851 /nfs/dbraw/zinc/26/88/51/412268851.db2.gz JQCFDUMGOZHWGR-INWMGODYSA-N 2 0 225.292 -1.076 20 0 BAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000662680568 412268023 /nfs/dbraw/zinc/26/80/23/412268023.db2.gz JQCFDUMGOZHWGR-YUCVTWSNSA-N 2 0 225.292 -1.076 20 0 BAADRP C[N@@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662681217 412265839 /nfs/dbraw/zinc/26/58/39/412265839.db2.gz CUJXMAVFJWJIRQ-MRVPVSSYSA-N 2 0 213.281 -1.611 20 0 BAADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662681218 412266178 /nfs/dbraw/zinc/26/61/78/412266178.db2.gz CUJXMAVFJWJIRQ-QMMMGPOBSA-N 2 0 213.281 -1.611 20 0 BAADRP CC[N@@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662681377 412266214 /nfs/dbraw/zinc/26/62/14/412266214.db2.gz GFPLQOAAMCDDSI-SECBINFHSA-N 2 0 227.308 -1.221 20 0 BAADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662681378 412266306 /nfs/dbraw/zinc/26/63/06/412266306.db2.gz GFPLQOAAMCDDSI-VIFPVBQESA-N 2 0 227.308 -1.221 20 0 BAADRP C[C@H](CN1CCOCC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662681472 412269559 /nfs/dbraw/zinc/26/95/59/412269559.db2.gz FUQPYHYNSHETQM-SECBINFHSA-N 2 0 243.307 -1.842 20 0 BAADRP C[C@@H](CN1CCOCC1)NC(=O)C1(O)C[NH2+]C1 ZINC000662681473 412269165 /nfs/dbraw/zinc/26/91/65/412269165.db2.gz FUQPYHYNSHETQM-VIFPVBQESA-N 2 0 243.307 -1.842 20 0 BAADRP C[NH+](C)CCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662681683 409829416 /nfs/dbraw/zinc/82/94/16/409829416.db2.gz BCSGKFXMYHNNQL-UHFFFAOYSA-N 2 0 215.297 -1.221 20 0 BAADRP O=C(NCCN1CCSCC1)C1(O)C[NH2+]C1 ZINC000662682249 412269900 /nfs/dbraw/zinc/26/99/00/412269900.db2.gz PFZALCKDSDSGHI-UHFFFAOYSA-N 2 0 245.348 -1.514 20 0 BAADRP C[N@H+](CCNC(=O)C1(O)C[NH2+]C1)C1CC1 ZINC000662696437 412274218 /nfs/dbraw/zinc/27/42/18/412274218.db2.gz KAIGRGSMCCUASU-UHFFFAOYSA-N 2 0 213.281 -1.469 20 0 BAADRP C[C@@H]1CCN(C(=O)CNC(=O)C[NH3+])[C@H](C[NH3+])C1 ZINC000662698083 412275146 /nfs/dbraw/zinc/27/51/46/412275146.db2.gz HGUHLHGWBBTFAM-BDAKNGLRSA-N 2 0 242.323 -1.353 20 0 BAADRP Cc1nccn1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662700354 412275439 /nfs/dbraw/zinc/27/54/39/412275439.db2.gz GQMSXPDKZRHKMJ-UHFFFAOYSA-N 2 0 224.264 -1.358 20 0 BAADRP C[C@H](CC[NH+](C)C)NC(=O)C1(O)C[NH2+]C1 ZINC000662701907 409850102 /nfs/dbraw/zinc/85/01/02/409850102.db2.gz FKQMCLKEQAHYTG-MRVPVSSYSA-N 2 0 215.297 -1.223 20 0 BAADRP C[C@@H](CC[NH+](C)C)NC(=O)C1(O)C[NH2+]C1 ZINC000662701908 409850955 /nfs/dbraw/zinc/85/09/55/409850955.db2.gz FKQMCLKEQAHYTG-QMMMGPOBSA-N 2 0 215.297 -1.223 20 0 BAADRP C[N@@H+]1CCC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662702156 412275924 /nfs/dbraw/zinc/27/59/24/412275924.db2.gz XOLKAWAPGYBMLS-SECBINFHSA-N 2 0 227.308 -1.221 20 0 BAADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662702157 412275757 /nfs/dbraw/zinc/27/57/57/412275757.db2.gz XOLKAWAPGYBMLS-VIFPVBQESA-N 2 0 227.308 -1.221 20 0 BAADRP COCC[N@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662702665 412275673 /nfs/dbraw/zinc/27/56/73/412275673.db2.gz BTJYFZPSKHVCQB-UHFFFAOYSA-N 2 0 231.296 -1.985 20 0 BAADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662704115 409855003 /nfs/dbraw/zinc/85/50/03/409855003.db2.gz YODRIPNLRLXAJW-MRVPVSSYSA-N 2 0 225.292 -1.326 20 0 BAADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1(O)C[NH2+]C1 ZINC000662704116 409853961 /nfs/dbraw/zinc/85/39/61/409853961.db2.gz YODRIPNLRLXAJW-QMMMGPOBSA-N 2 0 225.292 -1.326 20 0 BAADRP CC(C)[N@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662709397 409860775 /nfs/dbraw/zinc/86/07/75/409860775.db2.gz BOBJYGOAJJTRGI-UHFFFAOYSA-N 2 0 215.297 -1.223 20 0 BAADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+](C)C1CC1 ZINC000662711381 412279564 /nfs/dbraw/zinc/27/95/64/412279564.db2.gz CLPYBYXKHFSQJU-MRVPVSSYSA-N 2 0 227.308 -1.080 20 0 BAADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+](C)C1CC1 ZINC000662711382 412279672 /nfs/dbraw/zinc/27/96/72/412279672.db2.gz CLPYBYXKHFSQJU-QMMMGPOBSA-N 2 0 227.308 -1.080 20 0 BAADRP CC[N@H+](CCNC(=O)C1(O)C[NH2+]C1)C1CC1 ZINC000662711792 409864056 /nfs/dbraw/zinc/86/40/56/409864056.db2.gz OXFVKQQXZWUTAD-UHFFFAOYSA-N 2 0 227.308 -1.079 20 0 BAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662711975 409863221 /nfs/dbraw/zinc/86/32/21/409863221.db2.gz PLLJFXAWTRYTGR-SECBINFHSA-N 2 0 227.308 -1.127 20 0 BAADRP C[NH+](C)[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662711994 409864503 /nfs/dbraw/zinc/86/45/03/409864503.db2.gz PLLJFXAWTRYTGR-VIFPVBQESA-N 2 0 227.308 -1.127 20 0 BAADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1C[NH2+]CCO1 ZINC000662718904 412282644 /nfs/dbraw/zinc/28/26/44/412282644.db2.gz SCIIVGYIRCDPKJ-INWMGODYSA-N 2 0 225.292 -1.157 20 0 BAADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[NH2+]CCO1 ZINC000662718906 412282615 /nfs/dbraw/zinc/28/26/15/412282615.db2.gz SCIIVGYIRCDPKJ-YUCVTWSNSA-N 2 0 225.292 -1.157 20 0 BAADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1(O)C[NH2+]C1 ZINC000662719508 412283599 /nfs/dbraw/zinc/28/35/99/412283599.db2.gz DPKFZLVYNNPFDT-JTQLQIEISA-N 2 0 239.319 -1.079 20 0 BAADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1(O)C[NH2+]C1 ZINC000662719509 412283417 /nfs/dbraw/zinc/28/34/17/412283417.db2.gz DPKFZLVYNNPFDT-SNVBAGLBSA-N 2 0 239.319 -1.079 20 0 BAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662720828 412283175 /nfs/dbraw/zinc/28/31/75/412283175.db2.gz DZWROTNNJXAZBT-SECBINFHSA-N 2 0 243.307 -1.842 20 0 BAADRP COCC[N@@H+]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662720829 412283574 /nfs/dbraw/zinc/28/35/74/412283574.db2.gz DZWROTNNJXAZBT-VIFPVBQESA-N 2 0 243.307 -1.842 20 0 BAADRP CC(C)[C@H]([NH3+])CCNC(=O)CNC(=O)C[NH3+] ZINC000662731155 412287202 /nfs/dbraw/zinc/28/72/02/412287202.db2.gz YUAXSXBBHHEXKD-MRVPVSSYSA-N 2 0 230.312 -1.449 20 0 BAADRP COCCC[N@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662743686 412290355 /nfs/dbraw/zinc/29/03/55/412290355.db2.gz SOTKRULVJXGVQN-UHFFFAOYSA-N 2 0 245.323 -1.595 20 0 BAADRP C[C@@H]1CC[N@H+](CCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662747579 412290018 /nfs/dbraw/zinc/29/00/18/412290018.db2.gz ZLSJYFGNQFALPE-SECBINFHSA-N 2 0 227.308 -1.221 20 0 BAADRP C[C@H]1CC[N@H+](CCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662747580 412289957 /nfs/dbraw/zinc/28/99/57/412289957.db2.gz ZLSJYFGNQFALPE-VIFPVBQESA-N 2 0 227.308 -1.221 20 0 BAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662747837 412289606 /nfs/dbraw/zinc/28/96/06/412289606.db2.gz DTCLXGDPBDQMMI-HLTSFMKQSA-N 2 0 231.271 -1.128 20 0 BAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662747838 412290326 /nfs/dbraw/zinc/29/03/26/412290326.db2.gz DTCLXGDPBDQMMI-IWSPIJDZSA-N 2 0 231.271 -1.128 20 0 BAADRP [NH3+]CCOCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748487 634470255 /nfs/dbraw/zinc/47/02/55/634470255.db2.gz WBXVFLUPKICPAO-HTQZYQBOSA-N 2 0 219.260 -1.141 20 0 BAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662754113 412291371 /nfs/dbraw/zinc/29/13/71/412291371.db2.gz DMEDZTFWQGHFSE-PSASIEDQSA-N 2 0 239.319 -1.080 20 0 BAADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662754114 412291055 /nfs/dbraw/zinc/29/10/55/412291055.db2.gz DMEDZTFWQGHFSE-SCZZXKLOSA-N 2 0 239.319 -1.080 20 0 BAADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662754115 412291632 /nfs/dbraw/zinc/29/16/32/412291632.db2.gz DMEDZTFWQGHFSE-WCBMZHEXSA-N 2 0 239.319 -1.080 20 0 BAADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662754116 412292073 /nfs/dbraw/zinc/29/20/73/412292073.db2.gz DMEDZTFWQGHFSE-WPRPVWTQSA-N 2 0 239.319 -1.080 20 0 BAADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(O)C[NH2+]C1 ZINC000662761463 412293768 /nfs/dbraw/zinc/29/37/68/412293768.db2.gz NSGCJTHLLCVQOT-HTQZYQBOSA-N 2 0 213.281 -1.484 20 0 BAADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(O)C[NH2+]C1 ZINC000662761464 412294153 /nfs/dbraw/zinc/29/41/53/412294153.db2.gz NSGCJTHLLCVQOT-JGVFFNPUSA-N 2 0 213.281 -1.484 20 0 BAADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(O)C[NH2+]C1 ZINC000662761465 412293815 /nfs/dbraw/zinc/29/38/15/412293815.db2.gz NSGCJTHLLCVQOT-SFYZADRCSA-N 2 0 213.281 -1.484 20 0 BAADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(O)C[NH2+]C1 ZINC000662761466 412293717 /nfs/dbraw/zinc/29/37/17/412293717.db2.gz NSGCJTHLLCVQOT-YUMQZZPRSA-N 2 0 213.281 -1.484 20 0 BAADRP CCC[NH2+]CCNC(=O)C1(O)C[NH2+]C1 ZINC000662761707 412293895 /nfs/dbraw/zinc/29/38/95/412293895.db2.gz XTRFXVYSUYFZTM-UHFFFAOYSA-N 2 0 201.270 -1.564 20 0 BAADRP COCC[NH2+]CCNC(=O)C1(O)C[NH2+]C1 ZINC000662763501 412293982 /nfs/dbraw/zinc/29/39/82/412293982.db2.gz DBFHUEZAKIEDBP-UHFFFAOYSA-N 2 0 217.269 -2.327 20 0 BAADRP CC1(CNC(=O)C2(O)C[NH2+]C2)CC[NH2+]CC1 ZINC000662764755 409888545 /nfs/dbraw/zinc/88/85/45/409888545.db2.gz NWCIKJBNUQUWRN-UHFFFAOYSA-N 2 0 227.308 -1.173 20 0 BAADRP C[C@]1(CNC(=O)C2(O)C[NH2+]C2)CCC[NH2+]C1 ZINC000662765004 412294606 /nfs/dbraw/zinc/29/46/06/412294606.db2.gz PWGPGJNKSUWDTN-JTQLQIEISA-N 2 0 227.308 -1.173 20 0 BAADRP C[C@@]1(CNC(=O)C2(O)C[NH2+]C2)CCC[NH2+]C1 ZINC000662765005 412294816 /nfs/dbraw/zinc/29/48/16/412294816.db2.gz PWGPGJNKSUWDTN-SNVBAGLBSA-N 2 0 227.308 -1.173 20 0 BAADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]21 ZINC000662766113 412296268 /nfs/dbraw/zinc/29/62/68/412296268.db2.gz LHZZTBNCHCRXCL-IVZWLZJFSA-N 2 0 239.319 -1.094 20 0 BAADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]21 ZINC000662766114 412295953 /nfs/dbraw/zinc/29/59/53/412295953.db2.gz LHZZTBNCHCRXCL-KXUCPTDWSA-N 2 0 239.319 -1.094 20 0 BAADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]21 ZINC000662766115 412295600 /nfs/dbraw/zinc/29/56/00/412295600.db2.gz LHZZTBNCHCRXCL-LPEHRKFASA-N 2 0 239.319 -1.094 20 0 BAADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]21 ZINC000662766116 412295642 /nfs/dbraw/zinc/29/56/42/412295642.db2.gz LHZZTBNCHCRXCL-OPRDCNLKSA-N 2 0 239.319 -1.094 20 0 BAADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662766141 412295994 /nfs/dbraw/zinc/29/59/94/412295994.db2.gz LXARLCHUDPLVRJ-JTQLQIEISA-N 2 0 225.292 -1.467 20 0 BAADRP O=C(N1CC[C@@]2(CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662766142 412295909 /nfs/dbraw/zinc/29/59/09/412295909.db2.gz LXARLCHUDPLVRJ-SNVBAGLBSA-N 2 0 225.292 -1.467 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662766306 409890512 /nfs/dbraw/zinc/89/05/12/409890512.db2.gz IJTAWELHOMVBTD-SSDOTTSWSA-N 2 0 215.253 -2.493 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662766307 409891072 /nfs/dbraw/zinc/89/10/72/409891072.db2.gz IJTAWELHOMVBTD-ZETCQYMHSA-N 2 0 215.253 -2.493 20 0 BAADRP C[N@@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662766915 412296108 /nfs/dbraw/zinc/29/61/08/412296108.db2.gz PWTIHUOYEFXLEX-UHFFFAOYSA-N 2 0 213.281 -1.515 20 0 BAADRP CN(C(=O)C1(O)C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000662767754 412295545 /nfs/dbraw/zinc/29/55/45/412295545.db2.gz WTVHQQLZXLYVDA-UHFFFAOYSA-N 2 0 227.308 -1.127 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662767855 412296292 /nfs/dbraw/zinc/29/62/92/412296292.db2.gz ZUYWAUXLXBKGKE-CIUDSAMLSA-N 2 0 213.281 -1.090 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662767857 412295876 /nfs/dbraw/zinc/29/58/76/412295876.db2.gz ZUYWAUXLXBKGKE-IWSPIJDZSA-N 2 0 213.281 -1.090 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662768265 412296017 /nfs/dbraw/zinc/29/60/17/412296017.db2.gz ACSRRDZLMZTJIE-HTQZYQBOSA-N 2 0 213.281 -1.565 20 0 BAADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662768266 412295528 /nfs/dbraw/zinc/29/55/28/412295528.db2.gz ACSRRDZLMZTJIE-JGVFFNPUSA-N 2 0 213.281 -1.565 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662768267 412296087 /nfs/dbraw/zinc/29/60/87/412296087.db2.gz ACSRRDZLMZTJIE-SFYZADRCSA-N 2 0 213.281 -1.565 20 0 BAADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662768268 412295727 /nfs/dbraw/zinc/29/57/27/412295727.db2.gz ACSRRDZLMZTJIE-YUMQZZPRSA-N 2 0 213.281 -1.565 20 0 BAADRP [NH3+]CC[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662772677 412298258 /nfs/dbraw/zinc/29/82/58/412298258.db2.gz CYJIITXKLIBGTR-SECBINFHSA-N 2 0 227.308 -1.092 20 0 BAADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662772678 412298119 /nfs/dbraw/zinc/29/81/19/412298119.db2.gz CYJIITXKLIBGTR-VIFPVBQESA-N 2 0 227.308 -1.092 20 0 BAADRP C[C@]1(C[NH3+])CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662773817 412298392 /nfs/dbraw/zinc/29/83/92/412298392.db2.gz MUQPCOYCLSBNPT-SECBINFHSA-N 2 0 213.281 -1.482 20 0 BAADRP C[C@@]1(C[NH3+])CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662773818 412298151 /nfs/dbraw/zinc/29/81/51/412298151.db2.gz MUQPCOYCLSBNPT-VIFPVBQESA-N 2 0 213.281 -1.482 20 0 BAADRP C[C@@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)CC[NH2+]1 ZINC000662774772 412298161 /nfs/dbraw/zinc/29/81/61/412298161.db2.gz RLASJNRZYYQLQT-HTQZYQBOSA-N 2 0 213.281 -1.423 20 0 BAADRP C[C@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)CC[NH2+]1 ZINC000662774773 412297974 /nfs/dbraw/zinc/29/79/74/412297974.db2.gz RLASJNRZYYQLQT-JGVFFNPUSA-N 2 0 213.281 -1.423 20 0 BAADRP C[C@@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CC[NH2+]1 ZINC000662774774 412298034 /nfs/dbraw/zinc/29/80/34/412298034.db2.gz RLASJNRZYYQLQT-SFYZADRCSA-N 2 0 213.281 -1.423 20 0 BAADRP C[C@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)CC[NH2+]1 ZINC000662774775 412298146 /nfs/dbraw/zinc/29/81/46/412298146.db2.gz RLASJNRZYYQLQT-YUMQZZPRSA-N 2 0 213.281 -1.423 20 0 BAADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000662774811 412298177 /nfs/dbraw/zinc/29/81/77/412298177.db2.gz OSRIESLJKANPJE-YUMQZZPRSA-N 2 0 213.281 -1.423 20 0 BAADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662775056 412298042 /nfs/dbraw/zinc/29/80/42/412298042.db2.gz UAGXBLLRKMGJHF-OCAPTIKFSA-N 2 0 211.265 -2.002 20 0 BAADRP CC[NH2+][C@H](C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662775448 412298908 /nfs/dbraw/zinc/29/89/08/412298908.db2.gz WEVLPLUPNFJPQZ-SSDOTTSWSA-N 2 0 201.270 -1.565 20 0 BAADRP COC[C@@]1(CNC(=O)C2(O)C[NH2+]C2)CCC[NH2+]1 ZINC000662778765 412299736 /nfs/dbraw/zinc/29/97/36/412299736.db2.gz IHRUDYLJVDIAQD-JTQLQIEISA-N 2 0 243.307 -1.795 20 0 BAADRP COC[C@]1(CNC(=O)C2(O)C[NH2+]C2)CCC[NH2+]1 ZINC000662778766 412300223 /nfs/dbraw/zinc/30/02/23/412300223.db2.gz IHRUDYLJVDIAQD-SNVBAGLBSA-N 2 0 243.307 -1.795 20 0 BAADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662778791 412300057 /nfs/dbraw/zinc/30/00/57/412300057.db2.gz JPDVKPHXSBCPIG-BDAKNGLRSA-N 2 0 225.292 -1.469 20 0 BAADRP O=C(N1CC[C@H]2[NH2+]CC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662778793 412300215 /nfs/dbraw/zinc/30/02/15/412300215.db2.gz JPDVKPHXSBCPIG-DTWKUNHWSA-N 2 0 225.292 -1.469 20 0 BAADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662778794 412300096 /nfs/dbraw/zinc/30/00/96/412300096.db2.gz JPDVKPHXSBCPIG-IUCAKERBSA-N 2 0 225.292 -1.469 20 0 BAADRP O=C(N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662778796 412299788 /nfs/dbraw/zinc/29/97/88/412299788.db2.gz JPDVKPHXSBCPIG-RKDXNWHRSA-N 2 0 225.292 -1.469 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@]1(O)CCC[NH2+]C1 ZINC000662778865 412300021 /nfs/dbraw/zinc/30/00/21/412300021.db2.gz GWSAXKPDLUEYIL-SJQPAMGKSA-N 2 0 225.292 -1.565 20 0 BAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@]1(O)CCC[NH2+]C1 ZINC000662778867 412300014 /nfs/dbraw/zinc/30/00/14/412300014.db2.gz GWSAXKPDLUEYIL-UYAYMFIHSA-N 2 0 225.292 -1.565 20 0 BAADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662779525 409903566 /nfs/dbraw/zinc/90/35/66/409903566.db2.gz SBVCXGFCYKAJDN-LLVKDONJSA-N 2 0 239.319 -1.077 20 0 BAADRP O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C1(O)C[NH2+]C1 ZINC000662779528 409903303 /nfs/dbraw/zinc/90/33/03/409903303.db2.gz SBVCXGFCYKAJDN-NSHDSACASA-N 2 0 239.319 -1.077 20 0 BAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1(O)C[NH2+]C1 ZINC000662780053 409901500 /nfs/dbraw/zinc/90/15/00/409901500.db2.gz QBCLIDPPQCBJRS-BQBZGAKWSA-N 2 0 217.244 -1.863 20 0 BAADRP O=C(N1CCC2(CC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000662781265 412300749 /nfs/dbraw/zinc/30/07/49/412300749.db2.gz WRNOHJZXFXAGNX-UHFFFAOYSA-N 2 0 239.319 -1.077 20 0 BAADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)C1(O)C[NH2+]C1 ZINC000662781282 412300451 /nfs/dbraw/zinc/30/04/51/412300451.db2.gz WZJZCVUUUFOFTK-MRVPVSSYSA-N 2 0 225.292 -1.421 20 0 BAADRP O=C(N[C@H]1CC12CC[NH2+]CC2)C1(O)C[NH2+]C1 ZINC000662781284 409908245 /nfs/dbraw/zinc/90/82/45/409908245.db2.gz WZJZCVUUUFOFTK-QMMMGPOBSA-N 2 0 225.292 -1.421 20 0 BAADRP C[C@H](CCCC[NH3+])NC(=O)C1(O)C[NH2+]C1 ZINC000662781772 409911149 /nfs/dbraw/zinc/91/11/49/409911149.db2.gz YAGVYDGPBNSTAE-MRVPVSSYSA-N 2 0 215.297 -1.046 20 0 BAADRP C[C@@H](CCCC[NH3+])NC(=O)C1(O)C[NH2+]C1 ZINC000662781775 409910114 /nfs/dbraw/zinc/91/01/14/409910114.db2.gz YAGVYDGPBNSTAE-QMMMGPOBSA-N 2 0 215.297 -1.046 20 0 BAADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662783603 409913166 /nfs/dbraw/zinc/91/31/66/409913166.db2.gz MPNCSHMTIMONIX-HTQZYQBOSA-N 2 0 213.281 -1.436 20 0 BAADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662783604 409913182 /nfs/dbraw/zinc/91/31/82/409913182.db2.gz MPNCSHMTIMONIX-JGVFFNPUSA-N 2 0 213.281 -1.436 20 0 BAADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662783605 409912514 /nfs/dbraw/zinc/91/25/14/409912514.db2.gz MPNCSHMTIMONIX-SFYZADRCSA-N 2 0 213.281 -1.436 20 0 BAADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662783606 409912162 /nfs/dbraw/zinc/91/21/62/409912162.db2.gz MPNCSHMTIMONIX-YUMQZZPRSA-N 2 0 213.281 -1.436 20 0 BAADRP CC1(C)CN(C(=O)C2(O)C[NH2+]C2)CC[NH2+]1 ZINC000662784107 412301803 /nfs/dbraw/zinc/30/18/03/412301803.db2.gz PRKPXKNNQMRMPJ-UHFFFAOYSA-N 2 0 213.281 -1.469 20 0 BAADRP [NH3+]CC[C@@H](NC(=O)C1(O)C[NH2+]C1)C(F)(F)F ZINC000662784142 412301947 /nfs/dbraw/zinc/30/19/47/412301947.db2.gz QMQVHLKEXGQMAX-RXMQYKEDSA-N 2 0 241.213 -1.283 20 0 BAADRP [NH3+]CC[C@H](NC(=O)C1(O)C[NH2+]C1)C(F)(F)F ZINC000662784143 412301987 /nfs/dbraw/zinc/30/19/87/412301987.db2.gz QMQVHLKEXGQMAX-YFKPBYRVSA-N 2 0 241.213 -1.283 20 0 BAADRP O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1(O)C[NH2+]C1 ZINC000662784325 412301633 /nfs/dbraw/zinc/30/16/33/412301633.db2.gz OXWHRZAQOTZPGJ-AOOOYVTPSA-N 2 0 239.319 -1.221 20 0 BAADRP [NH3+]CC[C@@H](NC(=O)C1(O)C[NH2+]C1)C(F)F ZINC000662785064 412301951 /nfs/dbraw/zinc/30/19/51/412301951.db2.gz XVTQKRSWQPRJCS-RXMQYKEDSA-N 2 0 223.223 -1.581 20 0 BAADRP [NH3+]CC[C@H](NC(=O)C1(O)C[NH2+]C1)C(F)F ZINC000662785075 412301930 /nfs/dbraw/zinc/30/19/30/412301930.db2.gz XVTQKRSWQPRJCS-YFKPBYRVSA-N 2 0 223.223 -1.581 20 0 BAADRP O=C(NCCC[C@H]1CCC[NH2+]1)C1(O)C[NH2+]C1 ZINC000662786255 412302046 /nfs/dbraw/zinc/30/20/46/412302046.db2.gz VPIPZJWYCQOXPZ-SECBINFHSA-N 2 0 227.308 -1.031 20 0 BAADRP O=C(NCCC[C@@H]1CCC[NH2+]1)C1(O)C[NH2+]C1 ZINC000662786256 412301693 /nfs/dbraw/zinc/30/16/93/412301693.db2.gz VPIPZJWYCQOXPZ-VIFPVBQESA-N 2 0 227.308 -1.031 20 0 BAADRP O=C(N1CC[NH+]2CCC1CC2)C1(O)C[NH2+]C1 ZINC000662789704 409919652 /nfs/dbraw/zinc/91/96/52/409919652.db2.gz CMLGUVDOKGHULR-UHFFFAOYSA-N 2 0 225.292 -1.373 20 0 BAADRP C[NH+](C)CCOCCNC(=O)C1(O)C[NH2+]C1 ZINC000662795427 409924659 /nfs/dbraw/zinc/92/46/59/409924659.db2.gz ALMGIRVWWLSNOE-UHFFFAOYSA-N 2 0 231.296 -1.985 20 0 BAADRP CN(CC[N@H+](C)C1CC1)C(=O)C1(O)C[NH2+]C1 ZINC000662800825 412306526 /nfs/dbraw/zinc/30/65/26/412306526.db2.gz GHLGNENACGNWDT-UHFFFAOYSA-N 2 0 227.308 -1.127 20 0 BAADRP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000662813810 412308983 /nfs/dbraw/zinc/30/89/83/412308983.db2.gz LZCAKVWRHXRDCU-PSASIEDQSA-N 2 0 227.308 -1.236 20 0 BAADRP C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000662814583 409932966 /nfs/dbraw/zinc/93/29/66/409932966.db2.gz PXBXJRYECHDFBL-BDAKNGLRSA-N 2 0 227.308 -1.236 20 0 BAADRP C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000662814585 409932329 /nfs/dbraw/zinc/93/23/29/409932329.db2.gz PXBXJRYECHDFBL-DTWKUNHWSA-N 2 0 227.308 -1.236 20 0 BAADRP C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000662814587 409932484 /nfs/dbraw/zinc/93/24/84/409932484.db2.gz PXBXJRYECHDFBL-IUCAKERBSA-N 2 0 227.308 -1.236 20 0 BAADRP C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000662814591 409932363 /nfs/dbraw/zinc/93/23/63/409932363.db2.gz PXBXJRYECHDFBL-RKDXNWHRSA-N 2 0 227.308 -1.236 20 0 BAADRP O=C(N1CCC2(CC[NH2+]2)CC1)C1(O)C[NH2+]C1 ZINC000662816404 409932262 /nfs/dbraw/zinc/93/22/62/409932262.db2.gz AZPVMZCEEWKRBQ-UHFFFAOYSA-N 2 0 225.292 -1.325 20 0 BAADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000662816702 412310004 /nfs/dbraw/zinc/31/00/04/412310004.db2.gz YNQVPJRDHNHWMS-CIUDSAMLSA-N 2 0 213.281 -1.172 20 0 BAADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000662816703 412309364 /nfs/dbraw/zinc/30/93/64/412309364.db2.gz YNQVPJRDHNHWMS-IWSPIJDZSA-N 2 0 213.281 -1.172 20 0 BAADRP C[NH2+]CCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662816912 412309880 /nfs/dbraw/zinc/30/98/80/412309880.db2.gz QUEPWMVVWHDHOL-UHFFFAOYSA-N 2 0 201.270 -1.611 20 0 BAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662821609 409934853 /nfs/dbraw/zinc/93/48/53/409934853.db2.gz NIPFNFZYZQGKQR-BQBZGAKWSA-N 2 0 201.270 -1.437 20 0 BAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1(O)C[NH2+]C1 ZINC000662821615 409934821 /nfs/dbraw/zinc/93/48/21/409934821.db2.gz NIPFNFZYZQGKQR-NKWVEPMBSA-N 2 0 201.270 -1.437 20 0 BAADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662821617 409934609 /nfs/dbraw/zinc/93/46/09/409934609.db2.gz NIPFNFZYZQGKQR-RNFRBKRXSA-N 2 0 201.270 -1.437 20 0 BAADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662821618 409934690 /nfs/dbraw/zinc/93/46/90/409934690.db2.gz NIPFNFZYZQGKQR-RQJHMYQMSA-N 2 0 201.270 -1.437 20 0 BAADRP [NH3+]CC1(CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662828164 412314059 /nfs/dbraw/zinc/31/40/59/412314059.db2.gz AVIGCANGDVEFAZ-UHFFFAOYSA-N 2 0 213.281 -1.434 20 0 BAADRP CCO[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000662828551 412314525 /nfs/dbraw/zinc/31/45/25/412314525.db2.gz DIUPMABSPUOJMG-RKDXNWHRSA-N 2 0 243.307 -1.857 20 0 BAADRP [NH3+]CCC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662829234 412314489 /nfs/dbraw/zinc/31/44/89/412314489.db2.gz AVRQOONGBZWHSD-UHFFFAOYSA-N 2 0 227.308 -1.092 20 0 BAADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000662829369 412314363 /nfs/dbraw/zinc/31/43/63/412314363.db2.gz SGUFTAOXZHFWNS-ONGXEEELSA-N 2 0 239.319 -1.092 20 0 BAADRP O=C(NCCC1CC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC000662833514 409940414 /nfs/dbraw/zinc/94/04/14/409940414.db2.gz OTFVKNRGSCCWOB-UHFFFAOYSA-N 2 0 227.308 -1.173 20 0 BAADRP CN(CC(C)(C)[NH3+])C(=O)C1(O)C[NH2+]C1 ZINC000662844570 412320213 /nfs/dbraw/zinc/32/02/13/412320213.db2.gz DVZXIUBHYKHQMS-UHFFFAOYSA-N 2 0 201.270 -1.484 20 0 BAADRP C[C@H](CCNC(=O)C1(O)C[NH2+]C1)[NH+](C)C ZINC000662858068 412326852 /nfs/dbraw/zinc/32/68/52/412326852.db2.gz DXGKBGPPUMRMTC-MRVPVSSYSA-N 2 0 215.297 -1.223 20 0 BAADRP C[C@@H](CCNC(=O)C1(O)C[NH2+]C1)[NH+](C)C ZINC000662858070 412326927 /nfs/dbraw/zinc/32/69/27/412326927.db2.gz DXGKBGPPUMRMTC-QMMMGPOBSA-N 2 0 215.297 -1.223 20 0 BAADRP CN(CCC[NH+](C)C)CCNC(=O)C[NH3+] ZINC000662858156 412327084 /nfs/dbraw/zinc/32/70/84/412327084.db2.gz VEZLVKYGIRZFIH-UHFFFAOYSA-N 2 0 216.329 -1.055 20 0 BAADRP [NH3+]C1(CNC(=O)C2(O)C[NH2+]C2)CCCC1 ZINC000662864299 412329157 /nfs/dbraw/zinc/32/91/57/412329157.db2.gz PNYLKYXPUNUEFN-UHFFFAOYSA-N 2 0 213.281 -1.292 20 0 BAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[NH3+] ZINC000662874050 412331875 /nfs/dbraw/zinc/33/18/75/412331875.db2.gz LSNDTSCLSLMQAG-UHFFFAOYSA-N 2 0 230.312 -1.577 20 0 BAADRP [NH3+]CC12CC(C1)CN2C(=O)C1(O)C[NH2+]C1 ZINC000662876250 412332986 /nfs/dbraw/zinc/33/29/86/412332986.db2.gz SNFCWGFYKZHQNJ-UHFFFAOYSA-N 2 0 211.265 -1.730 20 0 BAADRP O=C(NCC12CC(C1)C[NH2+]2)C1(O)C[NH2+]C1 ZINC000662922920 412346081 /nfs/dbraw/zinc/34/60/81/412346081.db2.gz GAAZFCSORCAQLB-UHFFFAOYSA-N 2 0 211.265 -1.811 20 0 BAADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CC[NH+](C)C ZINC000662923134 412345896 /nfs/dbraw/zinc/34/58/96/412345896.db2.gz XSFSJSPBVZDVPD-UHFFFAOYSA-N 2 0 244.339 -1.186 20 0 BAADRP CC(C)[C@H]([NH3+])CCNC(=O)C1(O)C[NH2+]C1 ZINC000662925624 409980057 /nfs/dbraw/zinc/98/00/57/409980057.db2.gz IPRFPGHBOBLBAJ-MRVPVSSYSA-N 2 0 215.297 -1.190 20 0 BAADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[C@H]1F ZINC000662945268 412351586 /nfs/dbraw/zinc/35/15/86/412351586.db2.gz LHLHKEAPZWVJCL-RNFRBKRXSA-N 2 0 217.244 -1.782 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)C[NH2+]CCOC ZINC000662953198 409988865 /nfs/dbraw/zinc/98/88/65/409988865.db2.gz LOXFAAHSULWHTL-MRVPVSSYSA-N 2 0 203.286 -1.054 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)C[NH2+]CCOC ZINC000662953199 409988584 /nfs/dbraw/zinc/98/85/84/409988584.db2.gz LOXFAAHSULWHTL-QMMMGPOBSA-N 2 0 203.286 -1.054 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000662954355 412353672 /nfs/dbraw/zinc/35/36/72/412353672.db2.gz UTTZTZLYQFNIHT-HTQZYQBOSA-N 2 0 201.270 -1.301 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000662954356 412353355 /nfs/dbraw/zinc/35/33/55/412353355.db2.gz UTTZTZLYQFNIHT-JGVFFNPUSA-N 2 0 201.270 -1.301 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662954357 412353602 /nfs/dbraw/zinc/35/36/02/412353602.db2.gz UTTZTZLYQFNIHT-SFYZADRCSA-N 2 0 201.270 -1.301 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662954358 412353844 /nfs/dbraw/zinc/35/38/44/412353844.db2.gz UTTZTZLYQFNIHT-YUMQZZPRSA-N 2 0 201.270 -1.301 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662964481 412356660 /nfs/dbraw/zinc/35/66/60/412356660.db2.gz BZKXGNNPMZMIFD-BDAKNGLRSA-N 2 0 242.323 -1.421 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662964482 412356742 /nfs/dbraw/zinc/35/67/42/412356742.db2.gz BZKXGNNPMZMIFD-DTWKUNHWSA-N 2 0 242.323 -1.421 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662964483 412356872 /nfs/dbraw/zinc/35/68/72/412356872.db2.gz BZKXGNNPMZMIFD-IUCAKERBSA-N 2 0 242.323 -1.421 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662964484 412356913 /nfs/dbraw/zinc/35/69/13/412356913.db2.gz BZKXGNNPMZMIFD-RKDXNWHRSA-N 2 0 242.323 -1.421 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000662965270 412357299 /nfs/dbraw/zinc/35/72/99/412357299.db2.gz IWSVJGZZLMBROI-SCZZXKLOSA-N 2 0 244.339 -1.190 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000662965271 412357667 /nfs/dbraw/zinc/35/76/67/412357667.db2.gz IWSVJGZZLMBROI-WPRPVWTQSA-N 2 0 244.339 -1.190 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662968164 490249211 /nfs/dbraw/zinc/24/92/11/490249211.db2.gz FXQLFOKRMYKFFL-QXEWZRGKSA-N 2 0 227.308 -1.054 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662968165 490248685 /nfs/dbraw/zinc/24/86/85/490248685.db2.gz FXQLFOKRMYKFFL-YWVKMMECSA-N 2 0 227.308 -1.054 20 0 BAADRP C[C@@]1(NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003427 412367503 /nfs/dbraw/zinc/36/75/03/412367503.db2.gz FNQIYSWCCIIPBO-PSASIEDQSA-N 2 0 213.281 -1.157 20 0 BAADRP C[C@]1(NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003428 412367838 /nfs/dbraw/zinc/36/78/38/412367838.db2.gz FNQIYSWCCIIPBO-SCZZXKLOSA-N 2 0 213.281 -1.157 20 0 BAADRP C[C@@]1(NC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003429 412367981 /nfs/dbraw/zinc/36/79/81/412367981.db2.gz FNQIYSWCCIIPBO-WCBMZHEXSA-N 2 0 213.281 -1.157 20 0 BAADRP C[C@]1(NC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003431 412367936 /nfs/dbraw/zinc/36/79/36/412367936.db2.gz FNQIYSWCCIIPBO-WPRPVWTQSA-N 2 0 213.281 -1.157 20 0 BAADRP C[C@@]1(NC(=O)COCC[NH3+])CC[NH2+]C1 ZINC000663004654 412367791 /nfs/dbraw/zinc/36/77/91/412367791.db2.gz PPJXGYFGDRQFBC-SECBINFHSA-N 2 0 201.270 -1.170 20 0 BAADRP C[C@]1(NC(=O)COCC[NH3+])CC[NH2+]C1 ZINC000663004655 412367475 /nfs/dbraw/zinc/36/74/75/412367475.db2.gz PPJXGYFGDRQFBC-VIFPVBQESA-N 2 0 201.270 -1.170 20 0 BAADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663217447 412393145 /nfs/dbraw/zinc/39/31/45/412393145.db2.gz KFAHZYOQVRONNH-BBBLOLIVSA-N 2 0 237.303 -1.062 20 0 BAADRP O=C([C@H]1CCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663484780 411669787 /nfs/dbraw/zinc/66/97/87/411669787.db2.gz IUIXOBDBTNXJBZ-SECBINFHSA-N 2 0 225.292 -1.061 20 0 BAADRP O=C([C@@H]1CCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663484781 411669540 /nfs/dbraw/zinc/66/95/40/411669540.db2.gz IUIXOBDBTNXJBZ-VIFPVBQESA-N 2 0 225.292 -1.061 20 0 BAADRP O=C(C[NH2+]C1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663485504 411669719 /nfs/dbraw/zinc/66/97/19/411669719.db2.gz SLKPDDVHJXYCMY-UHFFFAOYSA-N 2 0 225.292 -1.061 20 0 BAADRP C[NH+](C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490003 411670886 /nfs/dbraw/zinc/67/08/86/411670886.db2.gz ODABHQPOXOVGQH-UHFFFAOYSA-N 2 0 213.281 -1.251 20 0 BAADRP O=C([C@H]1C[NH2+]CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663490497 411670700 /nfs/dbraw/zinc/67/07/00/411670700.db2.gz BAXXIHOEXIGQMW-SECBINFHSA-N 2 0 241.291 -1.824 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663490501 411670503 /nfs/dbraw/zinc/67/05/03/411670503.db2.gz BAXXIHOEXIGQMW-VIFPVBQESA-N 2 0 241.291 -1.824 20 0 BAADRP CC[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491578 411670546 /nfs/dbraw/zinc/67/05/46/411670546.db2.gz JVCMRDGTKTZFIV-MRVPVSSYSA-N 2 0 213.281 -1.076 20 0 BAADRP CC[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491580 411670942 /nfs/dbraw/zinc/67/09/42/411670942.db2.gz JVCMRDGTKTZFIV-QMMMGPOBSA-N 2 0 213.281 -1.076 20 0 BAADRP C[NH2+][C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491670 411671819 /nfs/dbraw/zinc/67/18/19/411671819.db2.gz IHMFYJIWFGZOCT-QMMMGPOBSA-N 2 0 213.281 -1.205 20 0 BAADRP CC(C)([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492466 411670720 /nfs/dbraw/zinc/67/07/20/411670720.db2.gz VHSJABRBANRCJI-UHFFFAOYSA-N 2 0 213.281 -1.076 20 0 BAADRP CC1(C(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC000663492469 411671706 /nfs/dbraw/zinc/67/17/06/411671706.db2.gz VJPXQKOXMQPJFT-UHFFFAOYSA-N 2 0 225.292 -1.203 20 0 BAADRP COCC[NH2+]CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663493028 411671850 /nfs/dbraw/zinc/67/18/50/411671850.db2.gz ZYUDFGDAEFOQJK-UHFFFAOYSA-N 2 0 243.307 -1.577 20 0 BAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCOC2(C[NH2+]C2)C1 ZINC000664727420 410621592 /nfs/dbraw/zinc/62/15/92/410621592.db2.gz IDZBVSJXIBWUCF-MYJAWHEDSA-N 2 0 237.303 -1.347 20 0 BAADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000664727803 412014199 /nfs/dbraw/zinc/01/41/99/412014199.db2.gz QQASBPKLLAJJOR-DTORHVGOSA-N 2 0 225.292 -1.076 20 0 BAADRP [NH3+][C@H]1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000664727804 412013906 /nfs/dbraw/zinc/01/39/06/412013906.db2.gz QQASBPKLLAJJOR-KYZUINATSA-N 2 0 225.292 -1.076 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]CC1 ZINC000702350977 712046347 /nfs/dbraw/zinc/04/63/47/712046347.db2.gz SVOYORKDYXDCKL-QMMMGPOBSA-N 2 0 200.286 -1.693 20 0 BAADRP C[NH2+]CCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702372146 712049177 /nfs/dbraw/zinc/04/91/77/712049177.db2.gz WIXUDZBQNDRBLD-QMMMGPOBSA-N 2 0 202.302 -1.447 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[NH2+]CC1 ZINC000702388033 712049911 /nfs/dbraw/zinc/04/99/11/712049911.db2.gz VMEPVTANDCEFGA-VIFPVBQESA-N 2 0 214.313 -1.303 20 0 BAADRP C[NH2+]CCCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702401925 712051047 /nfs/dbraw/zinc/05/10/47/712051047.db2.gz OWXOAOPMHOVLSR-VIFPVBQESA-N 2 0 216.329 -1.057 20 0 BAADRP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+](C)C ZINC000702403259 712051023 /nfs/dbraw/zinc/05/10/23/712051023.db2.gz UHTQPEBWISSTOY-BDAKNGLRSA-N 2 0 216.329 -1.058 20 0 BAADRP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+](C)C ZINC000702403261 712050513 /nfs/dbraw/zinc/05/05/13/712050513.db2.gz UHTQPEBWISSTOY-IUCAKERBSA-N 2 0 216.329 -1.058 20 0 BAADRP C[NH+](C)CCOCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702430679 712052174 /nfs/dbraw/zinc/05/21/74/712052174.db2.gz OMPFMNYAZGEIDB-JTQLQIEISA-N 2 0 246.355 -1.430 20 0 BAADRP COCC[N@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702432580 712053189 /nfs/dbraw/zinc/05/31/89/712053189.db2.gz WBOHUAYAVPNAIQ-JTQLQIEISA-N 2 0 246.355 -1.430 20 0 BAADRP C[NH2+]CCN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000703189963 712067711 /nfs/dbraw/zinc/06/77/11/712067711.db2.gz CGEKFQDUGSQDLX-JGVFFNPUSA-N 2 0 201.270 -1.220 20 0 BAADRP C[NH+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000705316193 712128431 /nfs/dbraw/zinc/12/84/31/712128431.db2.gz ITEPCJFMIAWFGL-QMMMGPOBSA-N 2 0 202.302 -1.447 20 0 BAADRP C[NH+](C)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000705343454 712129369 /nfs/dbraw/zinc/12/93/69/712129369.db2.gz SITQRSINVLTBJI-VIFPVBQESA-N 2 0 216.329 -1.057 20 0 BAADRP COC[C@@]1(C(=O)NCC[NH+](C)C)C[NH2+]CCO1 ZINC000710686061 712254382 /nfs/dbraw/zinc/25/43/82/712254382.db2.gz FHDJMXMMAOVMCH-LLVKDONJSA-N 2 0 245.323 -1.331 20 0 BAADRP COC[C@]1(C(=O)NCC[NH+](C)C)C[NH2+]CCO1 ZINC000710686062 712254179 /nfs/dbraw/zinc/25/41/79/712254179.db2.gz FHDJMXMMAOVMCH-NSHDSACASA-N 2 0 245.323 -1.331 20 0 BAADRP COC[C@]1(C(=O)NCCC[NH3+])C[NH2+]CCO1 ZINC000710837520 712258238 /nfs/dbraw/zinc/25/82/38/712258238.db2.gz BTUCRHBBJGADRF-JTQLQIEISA-N 2 0 231.296 -1.544 20 0 BAADRP COC[C@@]1(C(=O)NCCC[NH3+])C[NH2+]CCO1 ZINC000710837525 712257978 /nfs/dbraw/zinc/25/79/78/712257978.db2.gz BTUCRHBBJGADRF-SNVBAGLBSA-N 2 0 231.296 -1.544 20 0 BAADRP COC[C@@]1(C(=O)N2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000710851021 712259351 /nfs/dbraw/zinc/25/93/51/712259351.db2.gz JVTSJFRTIKRDAI-LLVKDONJSA-N 2 0 243.307 -1.577 20 0 BAADRP COC[C@]1(C(=O)N2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000710851022 712259515 /nfs/dbraw/zinc/25/95/15/712259515.db2.gz JVTSJFRTIKRDAI-NSHDSACASA-N 2 0 243.307 -1.577 20 0 BAADRP C[N@H+](CCn1cnnn1)CCN1CC[NH2+]CC1 ZINC000712574490 712448394 /nfs/dbraw/zinc/44/83/94/712448394.db2.gz BZVCSBCCSLORCN-UHFFFAOYSA-N 2 0 239.327 -1.490 20 0 BAADRP C[NH2+]CCOCC[N@H+](C)CCn1cnnn1 ZINC000712618438 712438841 /nfs/dbraw/zinc/43/88/41/712438841.db2.gz UXIDCCPQPGJLFQ-UHFFFAOYSA-N 2 0 228.300 -1.159 20 0 BAADRP C[N@H+](CCOCC[NH3+])CCn1cnnn1 ZINC000712619525 712438550 /nfs/dbraw/zinc/43/85/50/712438550.db2.gz XOVGXWJVSWHUGP-UHFFFAOYSA-N 2 0 214.273 -1.420 20 0 BAADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCNCC1 ZINC000721743363 710683858 /nfs/dbraw/zinc/68/38/58/710683858.db2.gz RWWFQDDJIDOLPH-SECBINFHSA-N 2 0 233.337 -1.027 20 0 BAADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCNCC1 ZINC000721743364 710684161 /nfs/dbraw/zinc/68/41/61/710684161.db2.gz RWWFQDDJIDOLPH-VIFPVBQESA-N 2 0 233.337 -1.027 20 0 BAADRP [NH3+]CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722230670 711728724 /nfs/dbraw/zinc/72/87/24/711728724.db2.gz PFUCKXGWFLIVRL-SSDOTTSWSA-N 2 0 207.299 -1.384 20 0 BAADRP [NH3+]CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722230671 711728733 /nfs/dbraw/zinc/72/87/33/711728733.db2.gz PFUCKXGWFLIVRL-ZETCQYMHSA-N 2 0 207.299 -1.384 20 0 BAADRP [NH3+]CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000722230886 711728719 /nfs/dbraw/zinc/72/87/19/711728719.db2.gz SDTBGSWRJNHPID-UHFFFAOYSA-N 2 0 221.326 -1.136 20 0 BAADRP C[NH2+]CCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000722232112 711728729 /nfs/dbraw/zinc/72/87/29/711728729.db2.gz NGLUJPRSVUHPNE-UHFFFAOYSA-N 2 0 207.299 -1.561 20 0 BAADRP CC[NH2+]CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000818561695 586901296 /nfs/dbraw/zinc/90/12/96/586901296.db2.gz MHZUGVPEWCCCHR-UHFFFAOYSA-N 2 0 228.296 -1.856 20 0 BAADRP CC[NH2+]CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000818612203 586906515 /nfs/dbraw/zinc/90/65/15/586906515.db2.gz PUYFNXSKNVBHSL-MRVPVSSYSA-N 2 0 201.270 -1.300 20 0 BAADRP CC[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000818612204 586906923 /nfs/dbraw/zinc/90/69/23/586906923.db2.gz PUYFNXSKNVBHSL-QMMMGPOBSA-N 2 0 201.270 -1.300 20 0 BAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CO ZINC000823123619 587204327 /nfs/dbraw/zinc/20/43/27/587204327.db2.gz CRBPDOREGUEJQY-UHFFFAOYSA-N 2 0 217.313 -1.070 20 0 BAADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000831970611 587640877 /nfs/dbraw/zinc/64/08/77/587640877.db2.gz JPMLWYNMAFZCNF-SECBINFHSA-N 2 0 242.323 -1.338 20 0 BAADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000831970612 587640892 /nfs/dbraw/zinc/64/08/92/587640892.db2.gz JPMLWYNMAFZCNF-VIFPVBQESA-N 2 0 242.323 -1.338 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000834316496 587751294 /nfs/dbraw/zinc/75/12/94/587751294.db2.gz JDCZXUPMJJDSRO-HXFLIBJXSA-N 2 0 213.281 -1.092 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000834316497 587751432 /nfs/dbraw/zinc/75/14/32/587751432.db2.gz JDCZXUPMJJDSRO-KZVJFYERSA-N 2 0 213.281 -1.092 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000834316498 587751387 /nfs/dbraw/zinc/75/13/87/587751387.db2.gz JDCZXUPMJJDSRO-LURQLKTLSA-N 2 0 213.281 -1.092 20 0 BAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000834316499 587751298 /nfs/dbraw/zinc/75/12/98/587751298.db2.gz JDCZXUPMJJDSRO-UYXSQOIJSA-N 2 0 213.281 -1.092 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000834528722 587758850 /nfs/dbraw/zinc/75/88/50/587758850.db2.gz JDFPCAXEPVHDQP-PSASIEDQSA-N 2 0 231.271 -1.126 20 0 BAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000834528723 587758820 /nfs/dbraw/zinc/75/88/20/587758820.db2.gz JDFPCAXEPVHDQP-SCZZXKLOSA-N 2 0 231.271 -1.126 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000834528724 587758937 /nfs/dbraw/zinc/75/89/37/587758937.db2.gz JDFPCAXEPVHDQP-WCBMZHEXSA-N 2 0 231.271 -1.126 20 0 BAADRP [NH3+]C[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000834528725 587758742 /nfs/dbraw/zinc/75/87/42/587758742.db2.gz JDFPCAXEPVHDQP-WPRPVWTQSA-N 2 0 231.271 -1.126 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000834608589 587760581 /nfs/dbraw/zinc/76/05/81/587760581.db2.gz BJPUNVMYKASREC-DTWKUNHWSA-N 2 0 242.323 -1.292 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000834608590 587760658 /nfs/dbraw/zinc/76/06/58/587760658.db2.gz BJPUNVMYKASREC-IUCAKERBSA-N 2 0 242.323 -1.292 20 0 BAADRP [NH3+]CCOCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000834865915 587768919 /nfs/dbraw/zinc/76/89/19/587768919.db2.gz HSQHRAXBJACVBE-BDAKNGLRSA-N 2 0 213.281 -1.218 20 0 BAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000834867930 587768964 /nfs/dbraw/zinc/76/89/64/587768964.db2.gz OBCDNOYDLBQNSU-UTLUCORTSA-N 2 0 225.292 -1.205 20 0 BAADRP CN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000841848255 587977122 /nfs/dbraw/zinc/97/71/22/587977122.db2.gz GDLDLHGFQPONHB-GXSJLCMTSA-N 2 0 244.314 -1.211 20 0 BAADRP CN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000841848256 587977503 /nfs/dbraw/zinc/97/75/03/587977503.db2.gz GDLDLHGFQPONHB-KOLCDFICSA-N 2 0 244.314 -1.211 20 0 BAADRP CN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000841848257 587977184 /nfs/dbraw/zinc/97/71/84/587977184.db2.gz GDLDLHGFQPONHB-MWLCHTKSSA-N 2 0 244.314 -1.211 20 0 BAADRP CN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000841848258 587977484 /nfs/dbraw/zinc/97/74/84/587977484.db2.gz GDLDLHGFQPONHB-ONGXEEELSA-N 2 0 244.314 -1.211 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@]1(F)CC[NH2+]C1 ZINC000842509177 588031613 /nfs/dbraw/zinc/03/16/13/588031613.db2.gz HJNQDHIWJKMSJJ-PSASIEDQSA-N 2 0 231.271 -1.207 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@]1(F)CC[NH2+]C1 ZINC000842509178 588031827 /nfs/dbraw/zinc/03/18/27/588031827.db2.gz HJNQDHIWJKMSJJ-SCZZXKLOSA-N 2 0 231.271 -1.207 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]1(F)CC[NH2+]C1 ZINC000842509179 588031713 /nfs/dbraw/zinc/03/17/13/588031713.db2.gz HJNQDHIWJKMSJJ-WCBMZHEXSA-N 2 0 231.271 -1.207 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]1(F)CC[NH2+]C1 ZINC000842509180 588031915 /nfs/dbraw/zinc/03/19/15/588031915.db2.gz HJNQDHIWJKMSJJ-WPRPVWTQSA-N 2 0 231.271 -1.207 20 0 BAADRP CC[NH2+]CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000843337707 588100689 /nfs/dbraw/zinc/10/06/89/588100689.db2.gz KWTRRYXLCGWEHB-UHFFFAOYSA-N 2 0 228.340 -1.041 20 0 BAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C[NH3+] ZINC000843469954 588111274 /nfs/dbraw/zinc/11/12/74/588111274.db2.gz DRHAKPPIWSYUOZ-CBAPKCEASA-N 2 0 230.312 -1.451 20 0 BAADRP CC[NH2+]CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000843477201 588113858 /nfs/dbraw/zinc/11/38/58/588113858.db2.gz JEPHHYKPLJXPKD-SECBINFHSA-N 2 0 243.307 -1.041 20 0 BAADRP CC[NH2+]CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000843477203 588114164 /nfs/dbraw/zinc/11/41/64/588114164.db2.gz JEPHHYKPLJXPKD-VIFPVBQESA-N 2 0 243.307 -1.041 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846675114 588281913 /nfs/dbraw/zinc/28/19/13/588281913.db2.gz LOBOWVJQYAAMPY-NRPADANISA-N 2 0 213.281 -1.314 20 0 BAADRP C[NH2+]CCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846675193 588282139 /nfs/dbraw/zinc/28/21/39/588282139.db2.gz CJXBAHAPOFHHFP-ONGXEEELSA-N 2 0 227.308 -1.100 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848606140 588402017 /nfs/dbraw/zinc/40/20/17/588402017.db2.gz VJNQOLLIROULGU-LPEHRKFASA-N 2 0 242.323 -1.206 20 0 BAADRP [NH3+]CCN(CCO)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676779 588614536 /nfs/dbraw/zinc/61/45/36/588614536.db2.gz NFBHQTVSSIRFCL-UHFFFAOYSA-N 2 0 242.323 -1.299 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)N(CC[NH3+])CCO ZINC000851680527 588614759 /nfs/dbraw/zinc/61/47/59/588614759.db2.gz IZCLJNKDNJGUFM-MRVPVSSYSA-N 2 0 218.301 -1.443 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)N(CC[NH3+])CCO ZINC000851680528 588614735 /nfs/dbraw/zinc/61/47/35/588614735.db2.gz IZCLJNKDNJGUFM-QMMMGPOBSA-N 2 0 218.301 -1.443 20 0 BAADRP [NH3+]CCN(CCO)C[C@H]1C[NH2+]CCO1 ZINC000852745993 588698978 /nfs/dbraw/zinc/69/89/78/588698978.db2.gz BWTILIXWBOJHQK-SECBINFHSA-N 2 0 203.286 -1.772 20 0 BAADRP [NH3+]CCN(CCO)C[C@@H]1C[NH2+]CCO1 ZINC000852745996 588698897 /nfs/dbraw/zinc/69/88/97/588698897.db2.gz BWTILIXWBOJHQK-VIFPVBQESA-N 2 0 203.286 -1.772 20 0 BAADRP [NH3+]CCN(CCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746331 588698911 /nfs/dbraw/zinc/69/89/11/588698911.db2.gz IWCBYBYVEDZTJW-JTQLQIEISA-N 3 0 229.324 -1.240 20 0 BAADRP [NH3+]CCN(CCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746332 588699251 /nfs/dbraw/zinc/69/92/51/588699251.db2.gz IWCBYBYVEDZTJW-SNVBAGLBSA-N 3 0 229.324 -1.240 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N2CC[NH2+]CC2)=NO1 ZINC000852789512 588702571 /nfs/dbraw/zinc/70/25/71/588702571.db2.gz AGFQQVCJNJHPRB-SSDOTTSWSA-N 2 0 212.253 -1.478 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH2+]CC2)=NO1 ZINC000852789513 588702769 /nfs/dbraw/zinc/70/27/69/588702769.db2.gz AGFQQVCJNJHPRB-ZETCQYMHSA-N 2 0 212.253 -1.478 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@H]([NH3+])C2)=NO1 ZINC000852789722 588702518 /nfs/dbraw/zinc/70/25/18/588702518.db2.gz DPNJMDRBBZFRQQ-RNFRBKRXSA-N 2 0 212.253 -1.350 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H]([NH3+])C2)=NO1 ZINC000852789725 588702683 /nfs/dbraw/zinc/70/26/83/588702683.db2.gz DPNJMDRBBZFRQQ-RQJHMYQMSA-N 2 0 212.253 -1.350 20 0 BAADRP [NH3+]CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852790277 588702813 /nfs/dbraw/zinc/70/28/13/588702813.db2.gz NWHRHKIPAHZULL-LURJTMIESA-N 2 0 200.242 -1.445 20 0 BAADRP [NH3+]CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852790278 588702714 /nfs/dbraw/zinc/70/27/14/588702714.db2.gz NWHRHKIPAHZULL-ZCFIWIBFSA-N 2 0 200.242 -1.445 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852790806 588702872 /nfs/dbraw/zinc/70/28/72/588702872.db2.gz TZEWETFXMMGAHJ-HTQZYQBOSA-N 2 0 226.280 -1.090 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852790819 588702861 /nfs/dbraw/zinc/70/28/61/588702861.db2.gz TZEWETFXMMGAHJ-JGVFFNPUSA-N 2 0 226.280 -1.090 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852790821 588701923 /nfs/dbraw/zinc/70/19/23/588701923.db2.gz TZEWETFXMMGAHJ-SFYZADRCSA-N 2 0 226.280 -1.090 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852790823 588701950 /nfs/dbraw/zinc/70/19/50/588701950.db2.gz TZEWETFXMMGAHJ-YUMQZZPRSA-N 2 0 226.280 -1.090 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[NH2+]CC2)=NO1 ZINC000852790824 588701966 /nfs/dbraw/zinc/70/19/66/588701966.db2.gz TZPNTFLFQIXLDL-MRVPVSSYSA-N 2 0 226.280 -1.088 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[NH2+]CC2)=NO1 ZINC000852790826 588701905 /nfs/dbraw/zinc/70/19/05/588701905.db2.gz TZPNTFLFQIXLDL-QMMMGPOBSA-N 2 0 226.280 -1.088 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852791540 588702921 /nfs/dbraw/zinc/70/29/21/588702921.db2.gz IZUUKVOLSFOJQI-HTQZYQBOSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CCC[NH2+]C2)=NO1 ZINC000852791541 588702970 /nfs/dbraw/zinc/70/29/70/588702970.db2.gz IZUUKVOLSFOJQI-JGVFFNPUSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852791542 588703015 /nfs/dbraw/zinc/70/30/15/588703015.db2.gz IZUUKVOLSFOJQI-SFYZADRCSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCC[NH2+]C2)=NO1 ZINC000852791543 588703052 /nfs/dbraw/zinc/70/30/52/588703052.db2.gz IZUUKVOLSFOJQI-YUMQZZPRSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C2)=NO1 ZINC000852793040 588701856 /nfs/dbraw/zinc/70/18/56/588701856.db2.gz NOCYAOBDXYDPSW-BQBZGAKWSA-N 2 0 212.253 -1.432 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C2)=NO1 ZINC000852793041 588701869 /nfs/dbraw/zinc/70/18/69/588701869.db2.gz NOCYAOBDXYDPSW-NKWVEPMBSA-N 2 0 212.253 -1.432 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C2)=NO1 ZINC000852793042 588701840 /nfs/dbraw/zinc/70/18/40/588701840.db2.gz NOCYAOBDXYDPSW-RNFRBKRXSA-N 2 0 212.253 -1.432 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C2)=NO1 ZINC000852793043 588702043 /nfs/dbraw/zinc/70/20/43/588702043.db2.gz NOCYAOBDXYDPSW-RQJHMYQMSA-N 2 0 212.253 -1.432 20 0 BAADRP C[NH2+]CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852793245 588702937 /nfs/dbraw/zinc/70/29/37/588702937.db2.gz VQEMERHPCPOGAN-SSDOTTSWSA-N 2 0 214.269 -1.184 20 0 BAADRP C[NH2+]CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852793246 588702879 /nfs/dbraw/zinc/70/28/79/588702879.db2.gz VQEMERHPCPOGAN-ZETCQYMHSA-N 2 0 214.269 -1.184 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H]([NH3+])C2)=NO1 ZINC000852793713 588703307 /nfs/dbraw/zinc/70/33/07/588703307.db2.gz DPNJMDRBBZFRQQ-BQBZGAKWSA-N 2 0 212.253 -1.350 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@H]([NH3+])C2)=NO1 ZINC000852793714 588703340 /nfs/dbraw/zinc/70/33/40/588703340.db2.gz DPNJMDRBBZFRQQ-NKWVEPMBSA-N 2 0 212.253 -1.350 20 0 BAADRP [NH3+]C[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000852793833 588703111 /nfs/dbraw/zinc/70/31/11/588703111.db2.gz HBSCVXHXCIPJEH-MRVPVSSYSA-N 2 0 213.281 -1.482 20 0 BAADRP [NH3+]C[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000852793834 588703240 /nfs/dbraw/zinc/70/32/40/588703240.db2.gz HBSCVXHXCIPJEH-QMMMGPOBSA-N 2 0 213.281 -1.482 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852794991 588703255 /nfs/dbraw/zinc/70/32/55/588703255.db2.gz UUYRTORVWQOORD-HTQZYQBOSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852794992 588703177 /nfs/dbraw/zinc/70/31/77/588703177.db2.gz UUYRTORVWQOORD-JGVFFNPUSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852794995 588703157 /nfs/dbraw/zinc/70/31/57/588703157.db2.gz UUYRTORVWQOORD-SFYZADRCSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852794998 588703145 /nfs/dbraw/zinc/70/31/45/588703145.db2.gz UUYRTORVWQOORD-YUMQZZPRSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852795022 588703404 /nfs/dbraw/zinc/70/34/04/588703404.db2.gz UBGHZLAZHWLFBN-BQBZGAKWSA-N 2 0 214.269 -1.057 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852795030 588703499 /nfs/dbraw/zinc/70/34/99/588703499.db2.gz UBGHZLAZHWLFBN-NKWVEPMBSA-N 2 0 214.269 -1.057 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)NCC[NH2+]C2CC2)=NO1 ZINC000852795686 588703357 /nfs/dbraw/zinc/70/33/57/588703357.db2.gz ITNHHFPLVRZVBF-MRVPVSSYSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)NCC[NH2+]C2CC2)=NO1 ZINC000852795687 588703412 /nfs/dbraw/zinc/70/34/12/588703412.db2.gz ITNHHFPLVRZVBF-QMMMGPOBSA-N 2 0 226.280 -1.042 20 0 BAADRP CC(C)(C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852795731 588703353 /nfs/dbraw/zinc/70/33/53/588703353.db2.gz JOABQHFJMSNLHZ-LURJTMIESA-N 2 0 214.269 -1.057 20 0 BAADRP CC(C)(C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852795732 588703566 /nfs/dbraw/zinc/70/35/66/588703566.db2.gz JOABQHFJMSNLHZ-ZCFIWIBFSA-N 2 0 214.269 -1.057 20 0 BAADRP C[NH2+]CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852795921 588703482 /nfs/dbraw/zinc/70/34/82/588703482.db2.gz LJLOBPBRBDILNV-LURJTMIESA-N 2 0 200.242 -1.574 20 0 BAADRP C[NH2+]CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852795922 588703426 /nfs/dbraw/zinc/70/34/26/588703426.db2.gz LJLOBPBRBDILNV-ZCFIWIBFSA-N 2 0 200.242 -1.574 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCC[NH2+]2)=NO1 ZINC000852796060 588703466 /nfs/dbraw/zinc/70/34/66/588703466.db2.gz MOVIKJHRDLBCBH-HTQZYQBOSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852796061 588703603 /nfs/dbraw/zinc/70/36/03/588703603.db2.gz MOVIKJHRDLBCBH-JGVFFNPUSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCC[NH2+]2)=NO1 ZINC000852796062 588703365 /nfs/dbraw/zinc/70/33/65/588703365.db2.gz MOVIKJHRDLBCBH-SFYZADRCSA-N 2 0 226.280 -1.042 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852796063 588703437 /nfs/dbraw/zinc/70/34/37/588703437.db2.gz MOVIKJHRDLBCBH-YUMQZZPRSA-N 2 0 226.280 -1.042 20 0 BAADRP CC[NH2+]CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852796111 588703428 /nfs/dbraw/zinc/70/34/28/588703428.db2.gz NSUQLBMPIFWWGN-SSDOTTSWSA-N 2 0 214.269 -1.184 20 0 BAADRP CC[NH2+]CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852796112 588703519 /nfs/dbraw/zinc/70/35/19/588703519.db2.gz NSUQLBMPIFWWGN-ZETCQYMHSA-N 2 0 214.269 -1.184 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852796503 588703502 /nfs/dbraw/zinc/70/35/02/588703502.db2.gz DKISFVHWIRKKQX-BQBZGAKWSA-N 2 0 214.269 -1.104 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852796507 588703389 /nfs/dbraw/zinc/70/33/89/588703389.db2.gz DKISFVHWIRKKQX-NKWVEPMBSA-N 2 0 214.269 -1.104 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852796508 588703489 /nfs/dbraw/zinc/70/34/89/588703489.db2.gz DKISFVHWIRKKQX-RNFRBKRXSA-N 2 0 214.269 -1.104 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852796509 588703387 /nfs/dbraw/zinc/70/33/87/588703387.db2.gz DKISFVHWIRKKQX-RQJHMYQMSA-N 2 0 214.269 -1.104 20 0 BAADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000852797178 588703761 /nfs/dbraw/zinc/70/37/61/588703761.db2.gz MPOZUJNJOSRZLJ-HTQZYQBOSA-N 2 0 226.280 -1.090 20 0 BAADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000852797180 588703780 /nfs/dbraw/zinc/70/37/80/588703780.db2.gz MPOZUJNJOSRZLJ-JGVFFNPUSA-N 2 0 226.280 -1.090 20 0 BAADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000852797182 588703612 /nfs/dbraw/zinc/70/36/12/588703612.db2.gz MPOZUJNJOSRZLJ-SFYZADRCSA-N 2 0 226.280 -1.090 20 0 BAADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000852797184 588703671 /nfs/dbraw/zinc/70/36/71/588703671.db2.gz MPOZUJNJOSRZLJ-YUMQZZPRSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000852797584 588703772 /nfs/dbraw/zinc/70/37/72/588703772.db2.gz WWWAMZGSZTVAAS-HTQZYQBOSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000852797585 588703690 /nfs/dbraw/zinc/70/36/90/588703690.db2.gz WWWAMZGSZTVAAS-JGVFFNPUSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000852797586 588703663 /nfs/dbraw/zinc/70/36/63/588703663.db2.gz WWWAMZGSZTVAAS-SFYZADRCSA-N 2 0 226.280 -1.090 20 0 BAADRP C[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000852797587 588703628 /nfs/dbraw/zinc/70/36/28/588703628.db2.gz WWWAMZGSZTVAAS-YUMQZZPRSA-N 2 0 226.280 -1.090 20 0 BAADRP [NH3+]C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852797994 588703723 /nfs/dbraw/zinc/70/37/23/588703723.db2.gz FDMKRSXUZCNABD-APPZFPTMSA-N 2 0 226.280 -1.057 20 0 BAADRP [NH3+]C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852797996 588703688 /nfs/dbraw/zinc/70/36/88/588703688.db2.gz FDMKRSXUZCNABD-CBAPKCEASA-N 2 0 226.280 -1.057 20 0 BAADRP [NH3+]C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852797998 588703800 /nfs/dbraw/zinc/70/38/00/588703800.db2.gz FDMKRSXUZCNABD-IONNQARKSA-N 2 0 226.280 -1.057 20 0 BAADRP [NH3+]C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852798000 588703838 /nfs/dbraw/zinc/70/38/38/588703838.db2.gz FDMKRSXUZCNABD-VXNVDRBHSA-N 2 0 226.280 -1.057 20 0 BAADRP CN(CCC[NH3+])C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852798020 588703784 /nfs/dbraw/zinc/70/37/84/588703784.db2.gz FOHWQHJOTJZWPU-SSDOTTSWSA-N 2 0 214.269 -1.103 20 0 BAADRP CN(CCC[NH3+])C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852798026 588703733 /nfs/dbraw/zinc/70/37/33/588703733.db2.gz FOHWQHJOTJZWPU-ZETCQYMHSA-N 2 0 214.269 -1.103 20 0 BAADRP CC(C)([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852798603 588703940 /nfs/dbraw/zinc/70/39/40/588703940.db2.gz MJIMLQFSPZEEEX-LURJTMIESA-N 2 0 214.269 -1.057 20 0 BAADRP CC(C)([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852798604 588703933 /nfs/dbraw/zinc/70/39/33/588703933.db2.gz MJIMLQFSPZEEEX-ZCFIWIBFSA-N 2 0 214.269 -1.057 20 0 BAADRP C[NH2+]CCN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852873643 588709878 /nfs/dbraw/zinc/70/98/78/588709878.db2.gz BEGPGWZXSJSAMP-SSDOTTSWSA-N 2 0 214.269 -1.232 20 0 BAADRP C[NH2+]CCN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852873644 588709869 /nfs/dbraw/zinc/70/98/69/588709869.db2.gz BEGPGWZXSJSAMP-ZETCQYMHSA-N 2 0 214.269 -1.232 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]([NH3+])C2CC2)=NO1 ZINC000852873867 588709833 /nfs/dbraw/zinc/70/98/33/588709833.db2.gz GMRHXVFWNPCLAH-HTQZYQBOSA-N 2 0 226.280 -1.057 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]([NH3+])C2CC2)=NO1 ZINC000852873868 588709866 /nfs/dbraw/zinc/70/98/66/588709866.db2.gz GMRHXVFWNPCLAH-JGVFFNPUSA-N 2 0 226.280 -1.057 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]([NH3+])C2CC2)=NO1 ZINC000852873869 588709837 /nfs/dbraw/zinc/70/98/37/588709837.db2.gz GMRHXVFWNPCLAH-SFYZADRCSA-N 2 0 226.280 -1.057 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]([NH3+])C2CC2)=NO1 ZINC000852873870 588709794 /nfs/dbraw/zinc/70/97/94/588709794.db2.gz GMRHXVFWNPCLAH-YUMQZZPRSA-N 2 0 226.280 -1.057 20 0 BAADRP COCC[NH2+]CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874180 588709731 /nfs/dbraw/zinc/70/97/31/588709731.db2.gz MATTUZQZXQPNSL-MRVPVSSYSA-N 2 0 244.295 -1.558 20 0 BAADRP COCC[NH2+]CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874181 588709958 /nfs/dbraw/zinc/70/99/58/588709958.db2.gz MATTUZQZXQPNSL-QMMMGPOBSA-N 2 0 244.295 -1.558 20 0 BAADRP C[C@@H](CC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874283 588709720 /nfs/dbraw/zinc/70/97/20/588709720.db2.gz JUMFGSWNRMETHQ-BQBZGAKWSA-N 2 0 214.269 -1.057 20 0 BAADRP C[C@@H](CC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874284 588709874 /nfs/dbraw/zinc/70/98/74/588709874.db2.gz JUMFGSWNRMETHQ-NKWVEPMBSA-N 2 0 214.269 -1.057 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874319 588709934 /nfs/dbraw/zinc/70/99/34/588709934.db2.gz OEJOMCMAQYUDSM-BQBZGAKWSA-N 2 0 214.269 -1.199 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874322 588709893 /nfs/dbraw/zinc/70/98/93/588709893.db2.gz OEJOMCMAQYUDSM-NKWVEPMBSA-N 2 0 214.269 -1.199 20 0 BAADRP O=C(N1CCC2(C1)CC[NH2+]CC2)C1(O)C[NH2+]C1 ZINC000852875369 588710033 /nfs/dbraw/zinc/71/00/33/588710033.db2.gz WIQDYDVJYXNCLN-UHFFFAOYSA-N 2 0 239.319 -1.077 20 0 BAADRP C[C@H](C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852876530 588710378 /nfs/dbraw/zinc/71/03/78/588710378.db2.gz LBMCXFUJJCLVBT-PHDIDXHHSA-N 2 0 200.242 -1.447 20 0 BAADRP C[C@H](C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852876531 588710345 /nfs/dbraw/zinc/71/03/45/588710345.db2.gz LBMCXFUJJCLVBT-RITPCOANSA-N 2 0 200.242 -1.447 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)=NO1 ZINC000852877234 588710303 /nfs/dbraw/zinc/71/03/03/588710303.db2.gz DCGSNMNTFLZSGK-HRDYMLBCSA-N 2 0 238.291 -1.232 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)=NO1 ZINC000852877235 588710530 /nfs/dbraw/zinc/71/05/30/588710530.db2.gz DCGSNMNTFLZSGK-YIZRAAEISA-N 2 0 238.291 -1.232 20 0 BAADRP C[C@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852878000 588710532 /nfs/dbraw/zinc/71/05/32/588710532.db2.gz KZQSGFFYRUMGSX-NTSWFWBYSA-N 2 0 200.242 -1.447 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852878001 588710410 /nfs/dbraw/zinc/71/04/10/588710410.db2.gz KZQSGFFYRUMGSX-PHDIDXHHSA-N 2 0 200.242 -1.447 20 0 BAADRP C[C@@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852878002 588710292 /nfs/dbraw/zinc/71/02/92/588710292.db2.gz KZQSGFFYRUMGSX-RITPCOANSA-N 2 0 200.242 -1.447 20 0 BAADRP C[C@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852878003 588710472 /nfs/dbraw/zinc/71/04/72/588710472.db2.gz KZQSGFFYRUMGSX-WDSKDSINSA-N 2 0 200.242 -1.447 20 0 BAADRP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C1(O)C[NH2+]C1 ZINC000852879587 588710744 /nfs/dbraw/zinc/71/07/44/588710744.db2.gz XRPNCARKJBCJFS-LLVKDONJSA-N 2 0 239.319 -1.077 20 0 BAADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C1(O)C[NH2+]C1 ZINC000852879588 588710581 /nfs/dbraw/zinc/71/05/81/588710581.db2.gz XRPNCARKJBCJFS-NSHDSACASA-N 2 0 239.319 -1.077 20 0 BAADRP C[NH+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852880225 588711108 /nfs/dbraw/zinc/71/11/08/588711108.db2.gz KSIMOHJIVQBZNE-SSDOTTSWSA-N 2 0 214.269 -1.232 20 0 BAADRP C[NH+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852880226 588711022 /nfs/dbraw/zinc/71/10/22/588711022.db2.gz KSIMOHJIVQBZNE-ZETCQYMHSA-N 2 0 214.269 -1.232 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852880669 588711080 /nfs/dbraw/zinc/71/10/80/588711080.db2.gz DBJZEDUKTKKHSW-ACZMJKKPSA-N 2 0 214.269 -1.058 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852880674 588710853 /nfs/dbraw/zinc/71/08/53/588710853.db2.gz DBJZEDUKTKKHSW-LYFYHCNISA-N 2 0 214.269 -1.058 20 0 BAADRP C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000852880677 588710974 /nfs/dbraw/zinc/71/09/74/588710974.db2.gz DBJZEDUKTKKHSW-RRKCRQDMSA-N 2 0 214.269 -1.058 20 0 BAADRP C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000852880679 588710942 /nfs/dbraw/zinc/71/09/42/588710942.db2.gz DBJZEDUKTKKHSW-XVMARJQXSA-N 2 0 214.269 -1.058 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)=NO1 ZINC000852880861 588711087 /nfs/dbraw/zinc/71/10/87/588711087.db2.gz FAFIVLDOHIWKLM-BIIVOSGPSA-N 2 0 244.270 -1.094 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)=NO1 ZINC000852880862 588710896 /nfs/dbraw/zinc/71/08/96/588710896.db2.gz FAFIVLDOHIWKLM-FXQIFTODSA-N 2 0 244.270 -1.094 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852880870 588711032 /nfs/dbraw/zinc/71/10/32/588711032.db2.gz FCHUAADJXPJNMU-BQBZGAKWSA-N 2 0 214.269 -1.057 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852880871 588710867 /nfs/dbraw/zinc/71/08/67/588710867.db2.gz FCHUAADJXPJNMU-NKWVEPMBSA-N 2 0 214.269 -1.057 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852880872 588711023 /nfs/dbraw/zinc/71/10/23/588711023.db2.gz FCHUAADJXPJNMU-RNFRBKRXSA-N 2 0 214.269 -1.057 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852880873 588710944 /nfs/dbraw/zinc/71/09/44/588710944.db2.gz FCHUAADJXPJNMU-RQJHMYQMSA-N 2 0 214.269 -1.057 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852881425 588710886 /nfs/dbraw/zinc/71/08/86/588710886.db2.gz KWPSQCDGWPYPPO-JAKMQLQISA-N 2 0 224.264 -1.576 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852881426 588711017 /nfs/dbraw/zinc/71/10/17/588711017.db2.gz KWPSQCDGWPYPPO-XZMZPDFPSA-N 2 0 224.264 -1.576 20 0 BAADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)C1(O)C[NH2+]C1 ZINC000852881900 588710926 /nfs/dbraw/zinc/71/09/26/588710926.db2.gz SEHUJRWPVSSRPK-LURJTMIESA-N 2 0 235.234 -1.566 20 0 BAADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)C1(O)C[NH2+]C1 ZINC000852881901 588711071 /nfs/dbraw/zinc/71/10/71/588711071.db2.gz SEHUJRWPVSSRPK-ZCFIWIBFSA-N 2 0 235.234 -1.566 20 0 BAADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H]1[NH3+] ZINC000852889460 588711629 /nfs/dbraw/zinc/71/16/29/588711629.db2.gz DJKOOXUTJFDQSJ-BWZBUEFSSA-N 2 0 226.280 -1.104 20 0 BAADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H]1[NH3+] ZINC000852889462 588711581 /nfs/dbraw/zinc/71/15/81/588711581.db2.gz DJKOOXUTJFDQSJ-GJMOJQLCSA-N 2 0 226.280 -1.104 20 0 BAADRP O=C(N1CC[C@@]2(CCC[NH2+]2)C1)C1(O)C[NH2+]C1 ZINC000852893390 588711830 /nfs/dbraw/zinc/71/18/30/588711830.db2.gz VEASHZAHFACEOT-JTQLQIEISA-N 2 0 225.292 -1.325 20 0 BAADRP O=C(N1CC[C@]2(CCC[NH2+]2)C1)C1(O)C[NH2+]C1 ZINC000852893391 588711663 /nfs/dbraw/zinc/71/16/63/588711663.db2.gz VEASHZAHFACEOT-SNVBAGLBSA-N 2 0 225.292 -1.325 20 0 BAADRP [NH3+]CCCCCCNC(=O)C1(O)C[NH2+]C1 ZINC000852894210 588711900 /nfs/dbraw/zinc/71/19/00/588711900.db2.gz IBSSTOICEPKCEK-UHFFFAOYSA-N 2 0 215.297 -1.044 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)NCC23CC(C2)C[NH2+]3)=NO1 ZINC000852915415 588713239 /nfs/dbraw/zinc/71/32/39/588713239.db2.gz FJUFAKPPQHIDEG-JKDSDDBFSA-N 2 0 238.291 -1.042 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)NCC23CC(C2)C[NH2+]3)=NO1 ZINC000852915416 588713078 /nfs/dbraw/zinc/71/30/78/588713078.db2.gz FJUFAKPPQHIDEG-KAIZJQOQSA-N 2 0 238.291 -1.042 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)=NO1 ZINC000852918607 588713456 /nfs/dbraw/zinc/71/34/56/588713456.db2.gz FUJIYJWZHMRUHD-BWZBUEFSSA-N 2 0 244.270 -1.012 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)=NO1 ZINC000852918608 588713316 /nfs/dbraw/zinc/71/33/16/588713316.db2.gz FUJIYJWZHMRUHD-XLPZGREQSA-N 2 0 244.270 -1.012 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852923328 588713338 /nfs/dbraw/zinc/71/33/38/588713338.db2.gz CPFKWDUKKOLXAB-BQBZGAKWSA-N 2 0 214.269 -1.186 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852923330 588713411 /nfs/dbraw/zinc/71/34/11/588713411.db2.gz CPFKWDUKKOLXAB-NKWVEPMBSA-N 2 0 214.269 -1.186 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852923332 588713444 /nfs/dbraw/zinc/71/34/44/588713444.db2.gz CPFKWDUKKOLXAB-RNFRBKRXSA-N 2 0 214.269 -1.186 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852923333 588713418 /nfs/dbraw/zinc/71/34/18/588713418.db2.gz CPFKWDUKKOLXAB-RQJHMYQMSA-N 2 0 214.269 -1.186 20 0 BAADRP C[C@@]1(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000852930667 588713981 /nfs/dbraw/zinc/71/39/81/588713981.db2.gz MFAZIYMQGQQLBE-GMSGAONNSA-N 2 0 226.280 -1.042 20 0 BAADRP C[C@@]1(NC(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000852930668 588714026 /nfs/dbraw/zinc/71/40/26/588714026.db2.gz MFAZIYMQGQQLBE-OIBJUYFYSA-N 2 0 226.280 -1.042 20 0 BAADRP C[C@]1(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000852930669 588714017 /nfs/dbraw/zinc/71/40/17/588714017.db2.gz MFAZIYMQGQQLBE-XCBNKYQSSA-N 2 0 226.280 -1.042 20 0 BAADRP C[C@]1(NC(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000852930670 588713953 /nfs/dbraw/zinc/71/39/53/588713953.db2.gz MFAZIYMQGQQLBE-XVKPBYJWSA-N 2 0 226.280 -1.042 20 0 BAADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000852997429 588715068 /nfs/dbraw/zinc/71/50/68/588715068.db2.gz CTQFKYZTIFFVQO-LLVKDONJSA-N 2 0 243.282 -1.111 20 0 BAADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@]1(F)CC[NH2+]C1 ZINC000852997430 588715047 /nfs/dbraw/zinc/71/50/47/588715047.db2.gz CTQFKYZTIFFVQO-NSHDSACASA-N 2 0 243.282 -1.111 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000857103898 588887697 /nfs/dbraw/zinc/88/76/97/588887697.db2.gz GHIRBHSHWLVRFS-JTQLQIEISA-N 2 0 243.355 -1.072 20 0 BAADRP C[C@H]([NH3+])CCNC(=O)N(CC[NH3+])CCO ZINC000857107030 588888304 /nfs/dbraw/zinc/88/83/04/588888304.db2.gz IMVAARDAWTVHMR-QMMMGPOBSA-N 2 0 218.301 -1.314 20 0 BAADRP C[NH+](C)C[C@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000858343676 588947741 /nfs/dbraw/zinc/94/77/41/588947741.db2.gz KIDVMUNBGBAVFY-RXMQYKEDSA-N 2 0 227.272 -1.630 20 0 BAADRP C[NH+](C)C[C@@H](O)CNc1nc(N)[nH+]c(N)n1 ZINC000858343715 588947491 /nfs/dbraw/zinc/94/74/91/588947491.db2.gz KIDVMUNBGBAVFY-YFKPBYRVSA-N 2 0 227.272 -1.630 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000861639818 589172044 /nfs/dbraw/zinc/17/20/44/589172044.db2.gz PAAHRGWYJJMUND-JTQLQIEISA-N 2 0 243.355 -1.120 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000861639831 589172027 /nfs/dbraw/zinc/17/20/27/589172027.db2.gz PAAHRGWYJJMUND-SNVBAGLBSA-N 2 0 243.355 -1.120 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000861642540 589172440 /nfs/dbraw/zinc/17/24/40/589172440.db2.gz ANDKGFTUWWTKRX-QMMMGPOBSA-N 2 0 218.301 -1.050 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000861642577 589172375 /nfs/dbraw/zinc/17/23/75/589172375.db2.gz BIYFZPCCVFQZAT-QMMMGPOBSA-N 2 0 218.301 -1.002 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861643154 589172570 /nfs/dbraw/zinc/17/25/70/589172570.db2.gz RFXVUOWJTMFOHG-JGVFFNPUSA-N 2 0 216.285 -1.379 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861643155 589172472 /nfs/dbraw/zinc/17/24/72/589172472.db2.gz RFXVUOWJTMFOHG-YUMQZZPRSA-N 2 0 216.285 -1.379 20 0 BAADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)C[NH3+] ZINC000861643185 589172590 /nfs/dbraw/zinc/17/25/90/589172590.db2.gz SGHLGWVAGNCHNQ-QMMMGPOBSA-N 2 0 218.301 -1.131 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000861645740 589172866 /nfs/dbraw/zinc/17/28/66/589172866.db2.gz JSJFPHMKKTYMGF-BDAKNGLRSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000861645741 589173059 /nfs/dbraw/zinc/17/30/59/589173059.db2.gz JSJFPHMKKTYMGF-DTWKUNHWSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000861645743 589172860 /nfs/dbraw/zinc/17/28/60/589172860.db2.gz JSJFPHMKKTYMGF-IUCAKERBSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000861645744 589172906 /nfs/dbraw/zinc/17/29/06/589172906.db2.gz JSJFPHMKKTYMGF-RKDXNWHRSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861686969 589174480 /nfs/dbraw/zinc/17/44/80/589174480.db2.gz HNORMEFFUYGVPI-BDAKNGLRSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861686970 589174598 /nfs/dbraw/zinc/17/45/98/589174598.db2.gz HNORMEFFUYGVPI-DTWKUNHWSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861686971 589174433 /nfs/dbraw/zinc/17/44/33/589174433.db2.gz HNORMEFFUYGVPI-IUCAKERBSA-N 2 0 230.312 -1.037 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861686972 589174342 /nfs/dbraw/zinc/17/43/42/589174342.db2.gz HNORMEFFUYGVPI-RKDXNWHRSA-N 2 0 230.312 -1.037 20 0 BAADRP C[NH2+]CCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861687414 589174416 /nfs/dbraw/zinc/17/44/16/589174416.db2.gz OLNGSJVYAURJNB-SECBINFHSA-N 2 0 230.312 -1.164 20 0 BAADRP C[NH2+]CCN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861687415 589174385 /nfs/dbraw/zinc/17/43/85/589174385.db2.gz OLNGSJVYAURJNB-VIFPVBQESA-N 2 0 230.312 -1.164 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000861703197 589175310 /nfs/dbraw/zinc/17/53/10/589175310.db2.gz IILDCNLFVBJTAK-DTWKUNHWSA-N 2 0 230.312 -1.301 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000863753014 589314303 /nfs/dbraw/zinc/31/43/03/589314303.db2.gz LDMKZRNOVSHZNV-SECBINFHSA-N 2 0 244.339 -1.188 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000863753015 589314431 /nfs/dbraw/zinc/31/44/31/589314431.db2.gz LDMKZRNOVSHZNV-VIFPVBQESA-N 2 0 244.339 -1.188 20 0 BAADRP C[NH2+]CCOCC[N@H+](C)CCc1nnnn1C ZINC000866669421 589510242 /nfs/dbraw/zinc/51/02/42/589510242.db2.gz ZRSVBSMVNHZSHB-UHFFFAOYSA-N 2 0 242.327 -1.080 20 0 BAADRP CN1C(=O)[C@H]2C[N@H+](CCOCC[NH3+])C[C@H]2C1=O ZINC000866701103 589512879 /nfs/dbraw/zinc/51/28/79/589512879.db2.gz GAFXISMGUOFHQI-DTORHVGOSA-N 2 0 241.291 -1.492 20 0 BAADRP [NH3+]CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714874 589514698 /nfs/dbraw/zinc/51/46/98/589514698.db2.gz ZTNNOIPWRGCDIK-AEJSXWLSSA-N 2 0 240.307 -1.188 20 0 BAADRP [NH3+]CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714875 589514855 /nfs/dbraw/zinc/51/48/55/589514855.db2.gz ZTNNOIPWRGCDIK-BBBLOLIVSA-N 2 0 240.307 -1.188 20 0 BAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1C[NH2+]C1 ZINC000866740607 589517152 /nfs/dbraw/zinc/51/71/52/589517152.db2.gz RUYBGGMTKHWESZ-MRVPVSSYSA-N 2 0 235.309 -2.134 20 0 BAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1C[NH2+]C1 ZINC000866740611 589517464 /nfs/dbraw/zinc/51/74/64/589517464.db2.gz RUYBGGMTKHWESZ-QMMMGPOBSA-N 2 0 235.309 -2.134 20 0 BAADRP CN(C1C[NH2+]C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866763676 589517804 /nfs/dbraw/zinc/51/78/04/589517804.db2.gz GZIMAMRJCXHOAM-SECBINFHSA-N 2 0 249.336 -1.792 20 0 BAADRP CN(C1C[NH2+]C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866763677 589517962 /nfs/dbraw/zinc/51/79/62/589517962.db2.gz GZIMAMRJCXHOAM-VIFPVBQESA-N 2 0 249.336 -1.792 20 0 BAADRP CC1(C)CC[NH2+]CCN1C(=O)CNC(=O)C[NH3+] ZINC000872297078 589907180 /nfs/dbraw/zinc/90/71/80/589907180.db2.gz FWXLCLFYDWQISW-UHFFFAOYSA-N 2 0 242.323 -1.338 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876500572 590203025 /nfs/dbraw/zinc/20/30/25/590203025.db2.gz IJGXPBNYEZKAKE-BDAKNGLRSA-N 2 0 214.313 -1.175 20 0 BAADRP COC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876504394 590204258 /nfs/dbraw/zinc/20/42/58/590204258.db2.gz MYAGBDKCNHOHPJ-KOLCDFICSA-N 2 0 243.307 -1.449 20 0 BAADRP COC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876504397 590203932 /nfs/dbraw/zinc/20/39/32/590203932.db2.gz MYAGBDKCNHOHPJ-MWLCHTKSSA-N 2 0 243.307 -1.449 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876504846 590204043 /nfs/dbraw/zinc/20/40/43/590204043.db2.gz YUJAZZLHUPBQRY-BDAKNGLRSA-N 2 0 214.313 -1.304 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876504847 590204060 /nfs/dbraw/zinc/20/40/60/590204060.db2.gz YUJAZZLHUPBQRY-IUCAKERBSA-N 2 0 214.313 -1.304 20 0 BAADRP C[NH2+]CCCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876507732 590204883 /nfs/dbraw/zinc/20/48/83/590204883.db2.gz MBYFTSQSYSVUMP-LLVKDONJSA-N 2 0 245.323 -1.283 20 0 BAADRP C[NH2+]CCCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876507735 590204984 /nfs/dbraw/zinc/20/49/84/590204984.db2.gz MBYFTSQSYSVUMP-NSHDSACASA-N 2 0 245.323 -1.283 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508349 590205091 /nfs/dbraw/zinc/20/50/91/590205091.db2.gz LWZBKYHTWKUKDK-BDAKNGLRSA-N 2 0 214.313 -1.257 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508350 590201463 /nfs/dbraw/zinc/20/14/63/590201463.db2.gz LWZBKYHTWKUKDK-IUCAKERBSA-N 2 0 214.313 -1.257 20 0 BAADRP CC[NH2+]CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876509960 590205438 /nfs/dbraw/zinc/20/54/38/590205438.db2.gz OVRXKFGYWMNZTP-VIFPVBQESA-N 2 0 216.329 -1.009 20 0 BAADRP COC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876511479 590205644 /nfs/dbraw/zinc/20/56/44/590205644.db2.gz JWYQJBXDGPEZRK-GXSJLCMTSA-N 2 0 243.307 -1.531 20 0 BAADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876511480 590205345 /nfs/dbraw/zinc/20/53/45/590205345.db2.gz JWYQJBXDGPEZRK-KOLCDFICSA-N 2 0 243.307 -1.531 20 0 BAADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876511481 590205349 /nfs/dbraw/zinc/20/53/49/590205349.db2.gz JWYQJBXDGPEZRK-MWLCHTKSSA-N 2 0 243.307 -1.531 20 0 BAADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876511482 590205444 /nfs/dbraw/zinc/20/54/44/590205444.db2.gz JWYQJBXDGPEZRK-ONGXEEELSA-N 2 0 243.307 -1.531 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876515349 590206390 /nfs/dbraw/zinc/20/63/90/590206390.db2.gz PTNGQMNGCXHQTI-BDAKNGLRSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876515350 590206371 /nfs/dbraw/zinc/20/63/71/590206371.db2.gz PTNGQMNGCXHQTI-IUCAKERBSA-N 2 0 214.313 -1.304 20 0 BAADRP COC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876517306 590206804 /nfs/dbraw/zinc/20/68/04/590206804.db2.gz MYAGBDKCNHOHPJ-GXSJLCMTSA-N 2 0 243.307 -1.449 20 0 BAADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876517307 590206835 /nfs/dbraw/zinc/20/68/35/590206835.db2.gz MYAGBDKCNHOHPJ-ONGXEEELSA-N 2 0 243.307 -1.449 20 0 BAADRP CC[NH2+]CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876520550 590207429 /nfs/dbraw/zinc/20/74/29/590207429.db2.gz ARXPEWWNBCHVNM-LLVKDONJSA-N 2 0 245.323 -1.283 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876520551 590207413 /nfs/dbraw/zinc/20/74/13/590207413.db2.gz ARXPEWWNBCHVNM-NSHDSACASA-N 2 0 245.323 -1.283 20 0 BAADRP COC[C@@]1(C(=O)NCC[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876521272 590207363 /nfs/dbraw/zinc/20/73/63/590207363.db2.gz VGOPLFAQYLIDOQ-GXSJLCMTSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@]1(C(=O)NCC[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876521279 590207269 /nfs/dbraw/zinc/20/72/69/590207269.db2.gz VGOPLFAQYLIDOQ-ONGXEEELSA-N 2 0 245.323 -1.155 20 0 BAADRP C[NH2+]CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876521330 590207515 /nfs/dbraw/zinc/20/75/15/590207515.db2.gz LCLAOFWISPVPEN-JTQLQIEISA-N 2 0 231.296 -1.673 20 0 BAADRP C[NH2+]CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876521331 590207542 /nfs/dbraw/zinc/20/75/42/590207542.db2.gz LCLAOFWISPVPEN-SNVBAGLBSA-N 2 0 231.296 -1.673 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876521650 590207355 /nfs/dbraw/zinc/20/73/55/590207355.db2.gz SLIBVUIHUDHOEG-QMMMGPOBSA-N 2 0 202.302 -1.399 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522010 590207350 /nfs/dbraw/zinc/20/73/50/590207350.db2.gz DXHXYLYTLDLMMZ-BDAKNGLRSA-N 2 0 214.313 -1.257 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522011 590207252 /nfs/dbraw/zinc/20/72/52/590207252.db2.gz DXHXYLYTLDLMMZ-IUCAKERBSA-N 2 0 214.313 -1.257 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000876522157 590207575 /nfs/dbraw/zinc/20/75/75/590207575.db2.gz JFYXIIAZRZZDMB-VIFPVBQESA-N 2 0 214.313 -1.257 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000876524541 590208440 /nfs/dbraw/zinc/20/84/40/590208440.db2.gz TXLOGQJRLAFRHG-ZETCQYMHSA-N 2 0 202.302 -1.271 20 0 BAADRP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000876527838 590209138 /nfs/dbraw/zinc/20/91/38/590209138.db2.gz GCLQWOBRJLSUMM-BDAKNGLRSA-N 2 0 214.313 -1.304 20 0 BAADRP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000876527840 590209040 /nfs/dbraw/zinc/20/90/40/590209040.db2.gz GCLQWOBRJLSUMM-IUCAKERBSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[NH2+]1 ZINC000876530816 590210432 /nfs/dbraw/zinc/21/04/32/590210432.db2.gz VMLYQTVZPZYQFH-BDAKNGLRSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[NH2+]1 ZINC000876530817 590210292 /nfs/dbraw/zinc/21/02/92/590210292.db2.gz VMLYQTVZPZYQFH-IUCAKERBSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876532203 590210227 /nfs/dbraw/zinc/21/02/27/590210227.db2.gz ZIEJODOOWXJZSC-SFYZADRCSA-N 2 0 202.302 -1.319 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876532204 590210460 /nfs/dbraw/zinc/21/04/60/590210460.db2.gz ZIEJODOOWXJZSC-YUMQZZPRSA-N 2 0 202.302 -1.319 20 0 BAADRP CN(CCC[NH3+])C(=O)[C@@H](N)C[NH+](C)C ZINC000876536340 590211307 /nfs/dbraw/zinc/21/13/07/590211307.db2.gz YKYBNGALMBOJDV-QMMMGPOBSA-N 2 0 202.302 -1.318 20 0 BAADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876536701 590211222 /nfs/dbraw/zinc/21/12/22/590211222.db2.gz RNMRZQLLLFHUTO-BDAKNGLRSA-N 2 0 216.329 -1.025 20 0 BAADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876536702 590211190 /nfs/dbraw/zinc/21/11/90/590211190.db2.gz RNMRZQLLLFHUTO-IUCAKERBSA-N 2 0 216.329 -1.025 20 0 BAADRP COC[C@@]1(C(=O)N(C)CCC[NH3+])C[NH2+]CCO1 ZINC000876537394 590211930 /nfs/dbraw/zinc/21/19/30/590211930.db2.gz PPDCRCXCSJGSOQ-LLVKDONJSA-N 2 0 245.323 -1.201 20 0 BAADRP COC[C@]1(C(=O)N(C)CCC[NH3+])C[NH2+]CCO1 ZINC000876537395 590211867 /nfs/dbraw/zinc/21/18/67/590211867.db2.gz PPDCRCXCSJGSOQ-NSHDSACASA-N 2 0 245.323 -1.201 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876537439 590211733 /nfs/dbraw/zinc/21/17/33/590211733.db2.gz RBGFMMYVADVFTQ-DTWKUNHWSA-N 2 0 214.313 -1.271 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876537440 590211792 /nfs/dbraw/zinc/21/17/92/590211792.db2.gz RBGFMMYVADVFTQ-IUCAKERBSA-N 2 0 214.313 -1.271 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538052 590211904 /nfs/dbraw/zinc/21/19/04/590211904.db2.gz BQUIEKPRDWJGOA-BDAKNGLRSA-N 2 0 214.313 -1.175 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000876538406 590211615 /nfs/dbraw/zinc/21/16/15/590211615.db2.gz IHDFWOFACUCQGP-ZETCQYMHSA-N 2 0 202.302 -1.271 20 0 BAADRP COC[C@@]1(C(=O)NCC(C)(C)[NH3+])C[NH2+]CCO1 ZINC000876539191 590212162 /nfs/dbraw/zinc/21/21/62/590212162.db2.gz YALPKJSYSOEJMK-LLVKDONJSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@]1(C(=O)NCC(C)(C)[NH3+])C[NH2+]CCO1 ZINC000876539192 590212110 /nfs/dbraw/zinc/21/21/10/590212110.db2.gz YALPKJSYSOEJMK-NSHDSACASA-N 2 0 245.323 -1.155 20 0 BAADRP CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000876541799 590212811 /nfs/dbraw/zinc/21/28/11/590212811.db2.gz FOYPLHYDVZYTNX-UWVGGRQHSA-N 2 0 243.355 -2.023 20 0 BAADRP CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000876541800 590212847 /nfs/dbraw/zinc/21/28/47/590212847.db2.gz FOYPLHYDVZYTNX-ZJUUUORDSA-N 2 0 243.355 -2.023 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876543665 590212499 /nfs/dbraw/zinc/21/24/99/590212499.db2.gz MRCZJVNIZHWFGX-GUBZILKMSA-N 2 0 244.339 -1.550 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876543666 590212627 /nfs/dbraw/zinc/21/26/27/590212627.db2.gz MRCZJVNIZHWFGX-KXUCPTDWSA-N 2 0 244.339 -1.550 20 0 BAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876543667 590212567 /nfs/dbraw/zinc/21/25/67/590212567.db2.gz MRCZJVNIZHWFGX-LPEHRKFASA-N 2 0 244.339 -1.550 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876543668 584886076 /nfs/dbraw/zinc/88/60/76/584886076.db2.gz MRCZJVNIZHWFGX-UTLUCORTSA-N 2 0 244.339 -1.550 20 0 BAADRP C[C@@H](C[NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876788318 590238495 /nfs/dbraw/zinc/23/84/95/590238495.db2.gz ZNKAKIKIRGFYPM-YUMQZZPRSA-N 2 0 202.302 -1.414 20 0 BAADRP COCC[NH2+]CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876791680 590242072 /nfs/dbraw/zinc/24/20/72/590242072.db2.gz HSGBBDXSCRCHGZ-VIFPVBQESA-N 2 0 232.328 -1.773 20 0 BAADRP COC[C@@]1(C(=O)N[C@@H](C)CC[NH3+])C[NH2+]CCO1 ZINC000876798235 590242841 /nfs/dbraw/zinc/24/28/41/590242841.db2.gz YQSNPEMGZUNXAI-GXSJLCMTSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@]1(C(=O)N[C@H](C)CC[NH3+])C[NH2+]CCO1 ZINC000876798236 590242479 /nfs/dbraw/zinc/24/24/79/590242479.db2.gz YQSNPEMGZUNXAI-KOLCDFICSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@@]1(C(=O)N[C@H](C)CC[NH3+])C[NH2+]CCO1 ZINC000876798237 584887284 /nfs/dbraw/zinc/88/72/84/584887284.db2.gz YQSNPEMGZUNXAI-MWLCHTKSSA-N 2 0 245.323 -1.155 20 0 BAADRP COC[C@]1(C(=O)N[C@@H](C)CC[NH3+])C[NH2+]CCO1 ZINC000876798238 584887276 /nfs/dbraw/zinc/88/72/76/584887276.db2.gz YQSNPEMGZUNXAI-ONGXEEELSA-N 2 0 245.323 -1.155 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000876798999 590242433 /nfs/dbraw/zinc/24/24/33/590242433.db2.gz VEVGXAWSONFLFR-QMMMGPOBSA-N 2 0 214.313 -1.127 20 0 BAADRP COC[C@@]1(C(=O)N[C@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876807637 590244856 /nfs/dbraw/zinc/24/48/56/590244856.db2.gz HSYBKBCFUSPDAF-PSASIEDQSA-N 2 0 231.296 -1.545 20 0 BAADRP COC[C@]1(C(=O)N[C@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876807638 590245019 /nfs/dbraw/zinc/24/50/19/590245019.db2.gz HSYBKBCFUSPDAF-SCZZXKLOSA-N 2 0 231.296 -1.545 20 0 BAADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876812334 590245352 /nfs/dbraw/zinc/24/53/52/590245352.db2.gz LDHSCPCXILJRQX-GUBZILKMSA-N 2 0 228.340 -1.011 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876812335 590245331 /nfs/dbraw/zinc/24/53/31/590245331.db2.gz LDHSCPCXILJRQX-KXUCPTDWSA-N 2 0 228.340 -1.011 20 0 BAADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876812336 590245236 /nfs/dbraw/zinc/24/52/36/590245236.db2.gz LDHSCPCXILJRQX-LPEHRKFASA-N 2 0 228.340 -1.011 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876812337 590245504 /nfs/dbraw/zinc/24/55/04/590245504.db2.gz LDHSCPCXILJRQX-UTLUCORTSA-N 2 0 228.340 -1.011 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000876829907 590247116 /nfs/dbraw/zinc/24/71/16/590247116.db2.gz UIESMWHJVZMHQM-CBAPKCEASA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000876829908 590247232 /nfs/dbraw/zinc/24/72/32/590247232.db2.gz UIESMWHJVZMHQM-IONNQARKSA-N 2 0 201.270 -1.172 20 0 BAADRP C[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000876830105 590247366 /nfs/dbraw/zinc/24/73/66/590247366.db2.gz ARGRFLYJOSIAAM-QMMMGPOBSA-N 2 0 200.286 -1.645 20 0 BAADRP COC[C@@]1(C(=O)N[C@@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876830385 590247314 /nfs/dbraw/zinc/24/73/14/590247314.db2.gz HSYBKBCFUSPDAF-WCBMZHEXSA-N 2 0 231.296 -1.545 20 0 BAADRP COC[C@]1(C(=O)N[C@@H](C)C[NH3+])C[NH2+]CCO1 ZINC000876830386 590247368 /nfs/dbraw/zinc/24/73/68/590247368.db2.gz HSYBKBCFUSPDAF-WPRPVWTQSA-N 2 0 231.296 -1.545 20 0 BAADRP COC[C@@]1(C(=O)NC[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000876834548 590247877 /nfs/dbraw/zinc/24/78/77/590247877.db2.gz RDKFNDOREZGRGX-PSASIEDQSA-N 2 0 231.296 -1.545 20 0 BAADRP COC[C@]1(C(=O)NC[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000876834549 590247963 /nfs/dbraw/zinc/24/79/63/590247963.db2.gz RDKFNDOREZGRGX-SCZZXKLOSA-N 2 0 231.296 -1.545 20 0 BAADRP COC[C@@]1(C(=O)NC[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876834550 590247848 /nfs/dbraw/zinc/24/78/48/590247848.db2.gz RDKFNDOREZGRGX-WCBMZHEXSA-N 2 0 231.296 -1.545 20 0 BAADRP COC[C@]1(C(=O)NC[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876834551 590247842 /nfs/dbraw/zinc/24/78/42/590247842.db2.gz RDKFNDOREZGRGX-WPRPVWTQSA-N 2 0 231.296 -1.545 20 0 BAADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876836765 590248341 /nfs/dbraw/zinc/24/83/41/590248341.db2.gz JEYLUHQXSOJABP-BDAKNGLRSA-N 2 0 216.329 -1.011 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838425 590248567 /nfs/dbraw/zinc/24/85/67/590248567.db2.gz QGMBUDALWXJRQC-AEJSXWLSSA-N 2 0 226.324 -1.447 20 0 BAADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876850748 590249461 /nfs/dbraw/zinc/24/94/61/590249461.db2.gz BKDXLHQVJCUYOA-CIUDSAMLSA-N 2 0 214.313 -1.177 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856965 590250089 /nfs/dbraw/zinc/25/00/89/590250089.db2.gz WFSAIOMLXVBNAY-CIUDSAMLSA-N 2 0 232.303 -1.309 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876860746 590250482 /nfs/dbraw/zinc/25/04/82/590250482.db2.gz IMYBMEKWAQDJIJ-CSMHCCOUSA-N 2 0 202.302 -1.273 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876860747 590250495 /nfs/dbraw/zinc/25/04/95/590250495.db2.gz IMYBMEKWAQDJIJ-FXQIFTODSA-N 2 0 202.302 -1.273 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876860748 590250627 /nfs/dbraw/zinc/25/06/27/590250627.db2.gz IMYBMEKWAQDJIJ-PRJMDXOYSA-N 2 0 202.302 -1.273 20 0 BAADRP C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@H](C)[NH3+] ZINC000876860749 590250645 /nfs/dbraw/zinc/25/06/45/590250645.db2.gz IMYBMEKWAQDJIJ-RNJXMRFFSA-N 2 0 202.302 -1.273 20 0 BAADRP COC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000876861191 584887495 /nfs/dbraw/zinc/88/74/95/584887495.db2.gz TXSZOECIXICTNB-KKZNHRDASA-N 2 0 245.323 -1.157 20 0 BAADRP COC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876861192 584887484 /nfs/dbraw/zinc/88/74/84/584887484.db2.gz TXSZOECIXICTNB-NGZCFLSTSA-N 2 0 245.323 -1.157 20 0 BAADRP COC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000876861193 584887534 /nfs/dbraw/zinc/88/75/34/584887534.db2.gz TXSZOECIXICTNB-QXEWZRGKSA-N 2 0 245.323 -1.157 20 0 BAADRP COC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000876861194 584887361 /nfs/dbraw/zinc/88/73/61/584887361.db2.gz TXSZOECIXICTNB-YWVKMMECSA-N 2 0 245.323 -1.157 20 0 BAADRP CN(C(=O)[C@@H](N)C[NH+](C)C)C1CC([NH3+])C1 ZINC000876863035 590250975 /nfs/dbraw/zinc/25/09/75/590250975.db2.gz ZXPRUFMVNLJXQA-HACHORDNSA-N 2 0 214.313 -1.177 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876863391 590251068 /nfs/dbraw/zinc/25/10/68/590251068.db2.gz FADHQESEXOPVTL-GXSJLCMTSA-N 2 0 245.323 -1.155 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876863392 590250910 /nfs/dbraw/zinc/25/09/10/590250910.db2.gz FADHQESEXOPVTL-KOLCDFICSA-N 2 0 245.323 -1.155 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876863393 590250956 /nfs/dbraw/zinc/25/09/56/590250956.db2.gz FADHQESEXOPVTL-MWLCHTKSSA-N 2 0 245.323 -1.155 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876863394 590251025 /nfs/dbraw/zinc/25/10/25/590251025.db2.gz FADHQESEXOPVTL-ONGXEEELSA-N 2 0 245.323 -1.155 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876864316 590251029 /nfs/dbraw/zinc/25/10/29/590251029.db2.gz QFMPIVFOARYPGL-BQBZGAKWSA-N 2 0 238.282 -1.026 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876864321 590251104 /nfs/dbraw/zinc/25/11/04/590251104.db2.gz QFMPIVFOARYPGL-NKWVEPMBSA-N 2 0 238.282 -1.026 20 0 BAADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876865044 590251468 /nfs/dbraw/zinc/25/14/68/590251468.db2.gz YBGJTGANGLAGCE-SFYZADRCSA-N 2 0 202.302 -1.271 20 0 BAADRP CC[C@H]([NH3+])CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876865045 590251394 /nfs/dbraw/zinc/25/13/94/590251394.db2.gz YBGJTGANGLAGCE-YUMQZZPRSA-N 2 0 202.302 -1.271 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870670 590251992 /nfs/dbraw/zinc/25/19/92/590251992.db2.gz BOEVVWKCRLOKJZ-UTLUCORTSA-N 2 0 226.324 -1.304 20 0 BAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872337 590252012 /nfs/dbraw/zinc/25/20/12/590252012.db2.gz YAQSUQDONWXGAI-MNOVXSKESA-N 2 0 238.335 -1.288 20 0 BAADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1(F)F ZINC000876916587 584887738 /nfs/dbraw/zinc/88/77/38/584887738.db2.gz DJNHVEKHFXHJNA-BWZBUEFSSA-N 2 0 249.261 -1.069 20 0 BAADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1(F)F ZINC000876916602 584887790 /nfs/dbraw/zinc/88/77/90/584887790.db2.gz DJNHVEKHFXHJNA-XLPZGREQSA-N 2 0 249.261 -1.069 20 0 BAADRP COC[C@]1(C(=O)N(C)CC[NH3+])C[NH2+]CCO1 ZINC000876918351 590257312 /nfs/dbraw/zinc/25/73/12/590257312.db2.gz HXGDDLCZSNJXHZ-JTQLQIEISA-N 2 0 231.296 -1.592 20 0 BAADRP COC[C@@]1(C(=O)N(C)CC[NH3+])C[NH2+]CCO1 ZINC000876918352 590257219 /nfs/dbraw/zinc/25/72/19/590257219.db2.gz HXGDDLCZSNJXHZ-SNVBAGLBSA-N 2 0 231.296 -1.592 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876969430 590262751 /nfs/dbraw/zinc/26/27/51/590262751.db2.gz PFARMOWDTLVPMX-YUCVTWSNSA-N 2 0 226.324 -1.175 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876974840 590263634 /nfs/dbraw/zinc/26/36/34/590263634.db2.gz VJMKEIHEEBFRTQ-YUCVTWSNSA-N 2 0 226.324 -1.257 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876977637 584888538 /nfs/dbraw/zinc/88/85/38/584888538.db2.gz AAWJYHPLIHLETO-SFYZADRCSA-N 2 0 202.302 -1.401 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876977638 584888553 /nfs/dbraw/zinc/88/85/53/584888553.db2.gz AAWJYHPLIHLETO-YUMQZZPRSA-N 2 0 202.302 -1.401 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876977797 590263789 /nfs/dbraw/zinc/26/37/89/590263789.db2.gz FPOWWGIUIXYAEQ-GXSJLCMTSA-N 2 0 245.323 -1.285 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876977798 590263774 /nfs/dbraw/zinc/26/37/74/590263774.db2.gz FPOWWGIUIXYAEQ-KOLCDFICSA-N 2 0 245.323 -1.285 20 0 BAADRP C[NH2+]C[C@@H](C)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876977799 590264119 /nfs/dbraw/zinc/26/41/19/590264119.db2.gz FPOWWGIUIXYAEQ-MWLCHTKSSA-N 2 0 245.323 -1.285 20 0 BAADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876977800 590263937 /nfs/dbraw/zinc/26/39/37/590263937.db2.gz FPOWWGIUIXYAEQ-ONGXEEELSA-N 2 0 245.323 -1.285 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978262 590263780 /nfs/dbraw/zinc/26/37/80/590263780.db2.gz IEMWUMNQLUICTC-HLTSFMKQSA-N 2 0 232.303 -1.227 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000876980528 590264798 /nfs/dbraw/zinc/26/47/98/590264798.db2.gz ILQIAZMUUKGRSD-WCBMZHEXSA-N 2 0 214.313 -1.257 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876980531 590264893 /nfs/dbraw/zinc/26/48/93/590264893.db2.gz ILQIAZMUUKGRSD-WPRPVWTQSA-N 2 0 214.313 -1.257 20 0 BAADRP CCN(CC[NH3+])C(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000877005130 590267763 /nfs/dbraw/zinc/26/77/63/590267763.db2.gz AUUKEFKFKARVOR-LLVKDONJSA-N 2 0 245.323 -1.201 20 0 BAADRP CCN(CC[NH3+])C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000877005131 590268136 /nfs/dbraw/zinc/26/81/36/590268136.db2.gz AUUKEFKFKARVOR-NSHDSACASA-N 2 0 245.323 -1.201 20 0 BAADRP CCN(CC[NH3+])C(=O)[C@@H](N)C[NH+](C)C ZINC000877006465 590268355 /nfs/dbraw/zinc/26/83/55/590268355.db2.gz UWVVVFUMGJIDSS-QMMMGPOBSA-N 2 0 202.302 -1.318 20 0 BAADRP CCN(CC[NH3+])C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877006857 590268506 /nfs/dbraw/zinc/26/85/06/590268506.db2.gz UAMGBVMHXWCUJY-SSDOTTSWSA-N 2 0 214.269 -1.103 20 0 BAADRP CCN(CC[NH3+])C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877006858 590268425 /nfs/dbraw/zinc/26/84/25/590268425.db2.gz UAMGBVMHXWCUJY-ZETCQYMHSA-N 2 0 214.269 -1.103 20 0 BAADRP C[NH2+]CCOCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877024188 590270542 /nfs/dbraw/zinc/27/05/42/590270542.db2.gz UFYQMBGGGHJXAF-MRVPVSSYSA-N 2 0 244.295 -1.558 20 0 BAADRP C[NH2+]CCOCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877024189 590270275 /nfs/dbraw/zinc/27/02/75/590270275.db2.gz UFYQMBGGGHJXAF-QMMMGPOBSA-N 2 0 244.295 -1.558 20 0 BAADRP CC[NH2+]CC(=O)NCCOCC[NH2+]C ZINC000877024615 590271009 /nfs/dbraw/zinc/27/10/09/590271009.db2.gz JISHXNGCHSNCID-UHFFFAOYSA-N 2 0 203.286 -1.052 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000877029495 590271737 /nfs/dbraw/zinc/27/17/37/590271737.db2.gz DWHFEPZKYMEBJE-JTQLQIEISA-N 2 0 246.355 -1.430 20 0 BAADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1(F)F ZINC000877038495 590272533 /nfs/dbraw/zinc/27/25/33/590272533.db2.gz QNVJDYQNENTNPK-BWZBUEFSSA-N 2 0 249.261 -1.069 20 0 BAADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[NH2+]2)C1(F)F ZINC000877038496 590272804 /nfs/dbraw/zinc/27/28/04/590272804.db2.gz QNVJDYQNENTNPK-XLPZGREQSA-N 2 0 249.261 -1.069 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000877041892 590273423 /nfs/dbraw/zinc/27/34/23/590273423.db2.gz KEQNMDNEKJSUNV-PSASIEDQSA-N 2 0 231.271 -1.207 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000877041893 590273212 /nfs/dbraw/zinc/27/32/12/590273212.db2.gz KEQNMDNEKJSUNV-SCZZXKLOSA-N 2 0 231.271 -1.207 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000877041894 590272074 /nfs/dbraw/zinc/27/20/74/590272074.db2.gz KEQNMDNEKJSUNV-WCBMZHEXSA-N 2 0 231.271 -1.207 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000877041895 590271956 /nfs/dbraw/zinc/27/19/56/590271956.db2.gz KEQNMDNEKJSUNV-WPRPVWTQSA-N 2 0 231.271 -1.207 20 0 BAADRP CC[NH2+]CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877042087 590273547 /nfs/dbraw/zinc/27/35/47/590273547.db2.gz MNVBBRUTJXOWKB-MRVPVSSYSA-N 2 0 201.270 -1.300 20 0 BAADRP CC[NH2+]CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877042088 590273699 /nfs/dbraw/zinc/27/36/99/590273699.db2.gz MNVBBRUTJXOWKB-QMMMGPOBSA-N 2 0 201.270 -1.300 20 0 BAADRP CN(CCOCC[NH3+])C(=O)[C@@H](N)C[NH+](C)C ZINC000877056419 590275634 /nfs/dbraw/zinc/27/56/34/590275634.db2.gz LIVXSVQDRSEGCX-VIFPVBQESA-N 2 0 232.328 -1.691 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000877094740 590282152 /nfs/dbraw/zinc/28/21/52/590282152.db2.gz CUJZVRCUCQZPAY-HTQZYQBOSA-N 2 0 201.270 -1.220 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000877094741 590281719 /nfs/dbraw/zinc/28/17/19/590281719.db2.gz CUJZVRCUCQZPAY-JGVFFNPUSA-N 2 0 201.270 -1.220 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000877094742 590282117 /nfs/dbraw/zinc/28/21/17/590282117.db2.gz CUJZVRCUCQZPAY-SFYZADRCSA-N 2 0 201.270 -1.220 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000877094743 590282226 /nfs/dbraw/zinc/28/22/26/590282226.db2.gz CUJZVRCUCQZPAY-YUMQZZPRSA-N 2 0 201.270 -1.220 20 0 BAADRP COC[C@@]1(C(=O)N(C)C[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000877107363 590285788 /nfs/dbraw/zinc/28/57/88/590285788.db2.gz DIXSFGOFWGBSMP-GXSJLCMTSA-N 2 0 245.323 -1.203 20 0 BAADRP COC[C@]1(C(=O)N(C)C[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000877107364 590285629 /nfs/dbraw/zinc/28/56/29/590285629.db2.gz DIXSFGOFWGBSMP-KOLCDFICSA-N 2 0 245.323 -1.203 20 0 BAADRP COC[C@@]1(C(=O)N(C)C[C@@H](C)[NH3+])C[NH2+]CCO1 ZINC000877107365 590285654 /nfs/dbraw/zinc/28/56/54/590285654.db2.gz DIXSFGOFWGBSMP-MWLCHTKSSA-N 2 0 245.323 -1.203 20 0 BAADRP COC[C@]1(C(=O)N(C)C[C@H](C)[NH3+])C[NH2+]CCO1 ZINC000877107366 590286093 /nfs/dbraw/zinc/28/60/93/590286093.db2.gz DIXSFGOFWGBSMP-ONGXEEELSA-N 2 0 245.323 -1.203 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)CN1CC[NH2+]CC1 ZINC000877107432 590285785 /nfs/dbraw/zinc/28/57/85/590285785.db2.gz FKLWKYGDRGMCNB-SECBINFHSA-N 2 0 214.313 -1.303 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)CN1CC[NH2+]CC1 ZINC000877107433 590285693 /nfs/dbraw/zinc/28/56/93/590285693.db2.gz FKLWKYGDRGMCNB-VIFPVBQESA-N 2 0 214.313 -1.303 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000877107514 590285640 /nfs/dbraw/zinc/28/56/40/590285640.db2.gz HUTZGEMCRAZJPC-SFYZADRCSA-N 2 0 202.302 -1.319 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000877107515 590285929 /nfs/dbraw/zinc/28/59/29/590285929.db2.gz HUTZGEMCRAZJPC-YUMQZZPRSA-N 2 0 202.302 -1.319 20 0 BAADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877108354 590286517 /nfs/dbraw/zinc/28/65/17/590286517.db2.gz QXHQSJDEVRFOAJ-BIIVOSGPSA-N 2 0 201.270 -1.092 20 0 BAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877108360 590286496 /nfs/dbraw/zinc/28/64/96/590286496.db2.gz QXHQSJDEVRFOAJ-GJMOJQLCSA-N 2 0 201.270 -1.092 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000877109365 590286665 /nfs/dbraw/zinc/28/66/65/590286665.db2.gz IAHBDLPSMPQXQX-XHNCKOQMSA-N 2 0 214.313 -1.258 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877110032 590287025 /nfs/dbraw/zinc/28/70/25/590287025.db2.gz WJOCJNIUKJIHDK-BIIVOSGPSA-N 2 0 226.280 -1.043 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877110038 590286868 /nfs/dbraw/zinc/28/68/68/590286868.db2.gz WJOCJNIUKJIHDK-XLPZGREQSA-N 2 0 226.280 -1.043 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168174 590295413 /nfs/dbraw/zinc/29/54/13/590295413.db2.gz IGTCXCXBRCKABW-CIUDSAMLSA-N 2 0 212.297 -1.552 20 0 BAADRP [NH3+]C[C@H]1CC(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)=NO1 ZINC000877168560 590295174 /nfs/dbraw/zinc/29/51/74/590295174.db2.gz OCGXWOOZXDZSFW-BIIVOSGPSA-N 2 0 224.264 -1.337 20 0 BAADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)=NO1 ZINC000877168561 590295376 /nfs/dbraw/zinc/29/53/76/590295376.db2.gz OCGXWOOZXDZSFW-FXQIFTODSA-N 2 0 224.264 -1.337 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171803 590296357 /nfs/dbraw/zinc/29/63/57/590296357.db2.gz GIKAKWZKHUQMQM-AEJSXWLSSA-N 2 0 226.324 -1.162 20 0 BAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000877172991 584891341 /nfs/dbraw/zinc/89/13/41/584891341.db2.gz WDNBDGTWLWXROD-CIUDSAMLSA-N 2 0 214.313 -1.177 20 0 BAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000877172992 584891192 /nfs/dbraw/zinc/89/11/92/584891192.db2.gz WDNBDGTWLWXROD-HLTSFMKQSA-N 2 0 214.313 -1.177 20 0 BAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000877172993 584891394 /nfs/dbraw/zinc/89/13/94/584891394.db2.gz WDNBDGTWLWXROD-VGMNWLOBSA-N 2 0 214.313 -1.177 20 0 BAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000877172994 584891294 /nfs/dbraw/zinc/89/12/94/584891294.db2.gz WDNBDGTWLWXROD-YIZRAAEISA-N 2 0 214.313 -1.177 20 0 BAADRP [NH3+]CC12CCC(CC1)N2C(=O)C1(O)C[NH2+]C1 ZINC000877185848 590298645 /nfs/dbraw/zinc/29/86/45/590298645.db2.gz JUAUINQZLPKRGY-UHFFFAOYSA-N 2 0 225.292 -1.197 20 0 BAADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(O)C[NH2+]C1 ZINC000877245175 590303147 /nfs/dbraw/zinc/30/31/47/590303147.db2.gz BNZPIZDESIHLBP-ILWJIGKKSA-N 2 0 239.319 -1.033 20 0 BAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@H]21 ZINC000877250419 590303661 /nfs/dbraw/zinc/30/36/61/590303661.db2.gz POORCTJYCDQPDV-NXEZZACHSA-N 2 0 239.319 -1.127 20 0 BAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@@H]21 ZINC000877250426 590303924 /nfs/dbraw/zinc/30/39/24/590303924.db2.gz POORCTJYCDQPDV-UWVGGRQHSA-N 2 0 239.319 -1.127 20 0 BAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@H]21 ZINC000877250428 590303452 /nfs/dbraw/zinc/30/34/52/590303452.db2.gz POORCTJYCDQPDV-VHSXEESVSA-N 2 0 239.319 -1.127 20 0 BAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CC[C@@H]21 ZINC000877250429 590303668 /nfs/dbraw/zinc/30/36/68/590303668.db2.gz POORCTJYCDQPDV-ZJUUUORDSA-N 2 0 239.319 -1.127 20 0 BAADRP C[C@@H](NC(=O)C1(O)C[NH2+]C1)C1CC[NH2+]CC1 ZINC000877254605 590304148 /nfs/dbraw/zinc/30/41/48/590304148.db2.gz YKQUUJQELBPCMV-MRVPVSSYSA-N 2 0 227.308 -1.175 20 0 BAADRP C[C@H](NC(=O)C1(O)C[NH2+]C1)C1CC[NH2+]CC1 ZINC000877254608 590304041 /nfs/dbraw/zinc/30/40/41/590304041.db2.gz YKQUUJQELBPCMV-QMMMGPOBSA-N 2 0 227.308 -1.175 20 0 BAADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371036 645794164 /nfs/dbraw/zinc/79/41/64/645794164.db2.gz KDJOGQPCFRSTFN-JBLDHEPKSA-N 2 0 240.351 -1.057 20 0 BAADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1(O)C[NH2+]C1)C2 ZINC000877373118 645793766 /nfs/dbraw/zinc/79/37/66/645793766.db2.gz VWWZHVPOQMERFQ-WCBMZHEXSA-N 2 0 225.292 -1.611 20 0 BAADRP C[N@H+](C[C@H](O)CN1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609560 590826258 /nfs/dbraw/zinc/82/62/58/590826258.db2.gz ZTYTZZOAVBANGS-TUAOUCFPSA-N 2 0 244.335 -1.131 20 0 BAADRP C[N@H+](C[C@@H](O)CN1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879609561 590825543 /nfs/dbraw/zinc/82/55/43/590825543.db2.gz ZTYTZZOAVBANGS-UTUOFQBUSA-N 2 0 244.335 -1.131 20 0 BAADRP [NH3+]CCN(CCO)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883425607 591658484 /nfs/dbraw/zinc/65/84/84/591658484.db2.gz YIMWGECLRUCKED-IUCAKERBSA-N 2 0 205.277 -1.061 20 0 BAADRP CN(C[C@@H](O)C[NH3+])C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430187 591648960 /nfs/dbraw/zinc/64/89/60/591648960.db2.gz OVUGKDGJKNZHIH-CIUDSAMLSA-N 2 0 205.277 -1.062 20 0 BAADRP CN(C[C@H](O)C[NH3+])C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430188 591650296 /nfs/dbraw/zinc/65/02/96/591650296.db2.gz OVUGKDGJKNZHIH-XHNCKOQMSA-N 2 0 205.277 -1.062 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435146 591663678 /nfs/dbraw/zinc/66/36/78/591663678.db2.gz LKWKEBMUEBPYLU-GUBZILKMSA-N 2 0 235.303 -1.700 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435147 591664487 /nfs/dbraw/zinc/66/44/87/591664487.db2.gz LKWKEBMUEBPYLU-LPEHRKFASA-N 2 0 235.303 -1.700 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000884026594 591809280 /nfs/dbraw/zinc/80/92/80/591809280.db2.gz HOZLAYRIDVWCJY-JTQLQIEISA-N 2 0 244.339 -1.676 20 0 BAADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000884362750 591915210 /nfs/dbraw/zinc/91/52/10/591915210.db2.gz QOARYJATPFLZSZ-BQBZGAKWSA-N 2 0 213.281 -1.437 20 0 BAADRP CC1(C)[C@H](NC(=O)C2(O)C[NH2+]C2)C[C@@H]1[NH3+] ZINC000884362751 591915630 /nfs/dbraw/zinc/91/56/30/591915630.db2.gz QOARYJATPFLZSZ-NKWVEPMBSA-N 2 0 213.281 -1.437 20 0 BAADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000884362752 591915480 /nfs/dbraw/zinc/91/54/80/591915480.db2.gz QOARYJATPFLZSZ-RNFRBKRXSA-N 2 0 213.281 -1.437 20 0 BAADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1(O)C[NH2+]C1 ZINC000884362753 591915954 /nfs/dbraw/zinc/91/59/54/591915954.db2.gz QOARYJATPFLZSZ-RQJHMYQMSA-N 2 0 213.281 -1.437 20 0 BAADRP CCO[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)C[C@H]1C[NH3+] ZINC000884386605 591922048 /nfs/dbraw/zinc/92/20/48/591922048.db2.gz UVZOKCCVVZSNMM-KXUCPTDWSA-N 2 0 245.323 -1.218 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884418353 591929337 /nfs/dbraw/zinc/92/93/37/591929337.db2.gz HBBXDVRCTXIEST-PRJMDXOYSA-N 2 0 219.260 -1.142 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000884421751 591929630 /nfs/dbraw/zinc/92/96/30/591929630.db2.gz CJLVSJAJOSEWCW-CBAPKCEASA-N 2 0 201.270 -1.172 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000884421752 591930057 /nfs/dbraw/zinc/93/00/57/591930057.db2.gz CJLVSJAJOSEWCW-IONNQARKSA-N 2 0 201.270 -1.172 20 0 BAADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C[NH3+])OC ZINC000884435062 591933080 /nfs/dbraw/zinc/93/30/80/591933080.db2.gz IUHXNHICNGNFEE-VIFPVBQESA-N 2 0 233.312 -1.346 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884444964 591936776 /nfs/dbraw/zinc/93/67/76/591936776.db2.gz ABLJUCGLVATDGQ-RNJXMRFFSA-N 2 0 201.270 -1.173 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884457969 591940122 /nfs/dbraw/zinc/94/01/22/591940122.db2.gz RTGXSJIDAVFNHJ-YIZRAAEISA-N 2 0 213.281 -1.077 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884458801 591941208 /nfs/dbraw/zinc/94/12/08/591941208.db2.gz NQSPEGRUMPKGFH-CSMHCCOUSA-N 2 0 201.270 -1.092 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884458802 591941263 /nfs/dbraw/zinc/94/12/63/591941263.db2.gz NQSPEGRUMPKGFH-FXQIFTODSA-N 2 0 201.270 -1.092 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884458803 591941324 /nfs/dbraw/zinc/94/13/24/591941324.db2.gz NQSPEGRUMPKGFH-PRJMDXOYSA-N 2 0 201.270 -1.092 20 0 BAADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884458804 591930255 /nfs/dbraw/zinc/93/02/55/591930255.db2.gz NQSPEGRUMPKGFH-RNJXMRFFSA-N 2 0 201.270 -1.092 20 0 BAADRP C[N@H+](CCO)CCNc1cc[nH+]cc1C(N)=O ZINC000884825319 592023980 /nfs/dbraw/zinc/02/39/80/592023980.db2.gz PZGSALREOVZYSM-UHFFFAOYSA-N 2 0 238.291 -1.062 20 0 BAADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892050913 582775206 /nfs/dbraw/zinc/77/52/06/582775206.db2.gz IMYTUQSESAURJD-UWVGGRQHSA-N 2 0 242.323 -1.022 20 0 BAADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892178289 582806090 /nfs/dbraw/zinc/80/60/90/582806090.db2.gz CIKSWEWQQBUTQY-GUBZILKMSA-N 2 0 240.307 -1.270 20 0 BAADRP O=C(NC[C@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892178300 582806071 /nfs/dbraw/zinc/80/60/71/582806071.db2.gz CIKSWEWQQBUTQY-LPEHRKFASA-N 2 0 240.307 -1.270 20 0 BAADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892284621 582827264 /nfs/dbraw/zinc/82/72/64/582827264.db2.gz ZOIBPEOGYLEGRL-UWVGGRQHSA-N 2 0 242.323 -1.022 20 0 BAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892289840 582828906 /nfs/dbraw/zinc/82/89/06/582828906.db2.gz OBLQHHKLEKEMPM-AEJSXWLSSA-N 2 0 240.307 -1.270 20 0 BAADRP O=C(NC[C@H]1COCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892289841 582828884 /nfs/dbraw/zinc/82/88/84/582828884.db2.gz OBLQHHKLEKEMPM-GUBZILKMSA-N 2 0 240.307 -1.270 20 0 BAADRP C[NH+](C)CC(=O)NCC[N@H+](C)CCO ZINC000899732331 584234895 /nfs/dbraw/zinc/23/48/95/584234895.db2.gz HXHZEISFLVZULR-UHFFFAOYSA-N 2 0 203.286 -1.412 20 0 BAADRP C[N@H+](CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000899734018 584235458 /nfs/dbraw/zinc/23/54/58/584235458.db2.gz QXEPECGEEUONSL-JTQLQIEISA-N 2 0 229.324 -1.022 20 0 BAADRP C[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000899734019 584235482 /nfs/dbraw/zinc/23/54/82/584235482.db2.gz QXEPECGEEUONSL-SNVBAGLBSA-N 2 0 229.324 -1.022 20 0 BAADRP C[C@H](C(=O)NCC[N@H+](C)CCO)[NH+](C)C ZINC000899741189 584233487 /nfs/dbraw/zinc/23/34/87/584233487.db2.gz NEZNUJLAMLYEPT-SECBINFHSA-N 2 0 217.313 -1.023 20 0 BAADRP C[C@@H](C(=O)NCC[N@H+](C)CCO)[NH+](C)C ZINC000899741190 584234153 /nfs/dbraw/zinc/23/41/53/584234153.db2.gz NEZNUJLAMLYEPT-VIFPVBQESA-N 2 0 217.313 -1.023 20 0 BAADRP C[C@@H]1C[NH2+]C[C@H]1CN(CC[NH3+])C[C@@H](O)CO ZINC000903463422 637365366 /nfs/dbraw/zinc/36/53/66/637365366.db2.gz ASCLMGRRPXZYRZ-OUAUKWLOSA-N 2 0 231.340 -1.544 20 0 BAADRP C[C@@H]1C[NH2+]C[C@H]1CN(CC[NH3+])C[C@H](O)CO ZINC000903463423 637364456 /nfs/dbraw/zinc/36/44/56/637364456.db2.gz ASCLMGRRPXZYRZ-VWYCJHECSA-N 2 0 231.340 -1.544 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CCC[NH2+]1 ZINC000903463513 637364906 /nfs/dbraw/zinc/36/49/06/637364906.db2.gz CYEQFPZQNRKOHB-NXEZZACHSA-N 2 0 217.313 -1.648 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1CCC[NH2+]1 ZINC000903463520 637364036 /nfs/dbraw/zinc/36/40/36/637364036.db2.gz CYEQFPZQNRKOHB-ZJUUUORDSA-N 2 0 217.313 -1.648 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463686 637364507 /nfs/dbraw/zinc/36/45/07/637364507.db2.gz JAERWNFNVSLSQB-OUAUKWLOSA-N 2 0 231.340 -1.272 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463687 637365418 /nfs/dbraw/zinc/36/54/18/637365418.db2.gz JAERWNFNVSLSQB-VWYCJHECSA-N 2 0 231.340 -1.272 20 0 BAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(N)=O)C2 ZINC000903493504 584781041 /nfs/dbraw/zinc/78/10/41/584781041.db2.gz SZUFTTSORTWQEY-RNSXUZJQSA-N 2 0 241.291 -1.316 20 0 BAADRP [NH3+]C1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000903523132 584781238 /nfs/dbraw/zinc/78/12/38/584781238.db2.gz CZQHFHXMFZHSKX-MRVPVSSYSA-N 2 0 249.336 -1.615 20 0 BAADRP [NH3+]C1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000903523133 584781448 /nfs/dbraw/zinc/78/14/48/584781448.db2.gz CZQHFHXMFZHSKX-QMMMGPOBSA-N 2 0 249.336 -1.615 20 0 BAADRP [NH3+]C1(CNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000903524308 584781255 /nfs/dbraw/zinc/78/12/55/584781255.db2.gz JKFTUSHSMAIHKO-UHFFFAOYSA-N 2 0 205.283 -1.631 20 0 BAADRP [NH3+]C1(CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000903524772 584781502 /nfs/dbraw/zinc/78/15/02/584781502.db2.gz XYGGFFMGCHJRMA-UHFFFAOYSA-N 2 0 234.325 -1.783 20 0 BAADRP CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000903553930 637371040 /nfs/dbraw/zinc/37/10/40/637371040.db2.gz LFLOOVLESAKDTI-MRVPVSSYSA-N 2 0 233.337 -1.124 20 0 BAADRP CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000903553931 637372217 /nfs/dbraw/zinc/37/22/17/637372217.db2.gz LFLOOVLESAKDTI-QMMMGPOBSA-N 2 0 233.337 -1.124 20 0 BAADRP O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1C[NH2+]C1 ZINC000903560805 584782172 /nfs/dbraw/zinc/78/21/72/584782172.db2.gz JIYDQEFQPMVIOO-NBEYISGCSA-N 2 0 231.321 -1.230 20 0 BAADRP O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1C[NH2+]C1 ZINC000903563845 584782286 /nfs/dbraw/zinc/78/22/86/584782286.db2.gz JIYDQEFQPMVIOO-BWVDBABLSA-N 2 0 231.321 -1.230 20 0 BAADRP [NH3+]C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000903569776 584783647 /nfs/dbraw/zinc/78/36/47/584783647.db2.gz OOGUQPBYVQFURE-LJGSYFOKSA-N 2 0 219.310 -1.385 20 0 BAADRP [NH3+]CCN(CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000903743064 584796700 /nfs/dbraw/zinc/79/67/00/584796700.db2.gz HMFRSLHUFZJOER-LLVKDONJSA-N 2 0 231.340 -1.304 20 0 BAADRP [NH3+]CCN(CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000903743067 584796917 /nfs/dbraw/zinc/79/69/17/584796917.db2.gz HMFRSLHUFZJOER-NSHDSACASA-N 2 0 231.340 -1.304 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CCCC[NH2+]C1 ZINC000903767547 584798341 /nfs/dbraw/zinc/79/83/41/584798341.db2.gz HFKSEMIVSAPVQK-NEPJUHHUSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CCCC[NH2+]C1 ZINC000903767548 584797857 /nfs/dbraw/zinc/79/78/57/584797857.db2.gz HFKSEMIVSAPVQK-NWDGAFQWSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1CCCC[NH2+]C1 ZINC000903767549 584797924 /nfs/dbraw/zinc/79/79/24/584797924.db2.gz HFKSEMIVSAPVQK-RYUDHWBXSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CCCC[NH2+]C1 ZINC000903767550 584797807 /nfs/dbraw/zinc/79/78/07/584797807.db2.gz HFKSEMIVSAPVQK-VXGBXAGGSA-N 2 0 245.367 -1.010 20 0 BAADRP [NH3+]CCN1CCC([NH2+][C@H]2CNOC2)CC1 ZINC000904424140 584881249 /nfs/dbraw/zinc/88/12/49/584881249.db2.gz NRTMQXPLJSGWRF-JTQLQIEISA-N 2 0 214.313 -1.098 20 0 BAADRP [NH3+]CCN1CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000904424141 584880925 /nfs/dbraw/zinc/88/09/25/584880925.db2.gz NRTMQXPLJSGWRF-SNVBAGLBSA-N 2 0 214.313 -1.098 20 0 BAADRP O=S(=O)(CC1CC[NH2+]CC1)NC1C[NH2+]C1 ZINC000905331055 637780440 /nfs/dbraw/zinc/78/04/40/637780440.db2.gz YQTBKESLQZZBFU-UHFFFAOYSA-N 2 0 233.337 -1.123 20 0 BAADRP O[C@@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000905467994 637827780 /nfs/dbraw/zinc/82/77/80/637827780.db2.gz UVAXFNZLUXUGQL-FIQHERPVSA-N 2 0 244.335 -1.083 20 0 BAADRP O[C@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000905468002 637827926 /nfs/dbraw/zinc/82/79/26/637827926.db2.gz UVAXFNZLUXUGQL-KKOKHZNYSA-N 2 0 244.335 -1.083 20 0 BAADRP O[C@H](C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000905468011 637828005 /nfs/dbraw/zinc/82/80/05/637828005.db2.gz UVAXFNZLUXUGQL-WISYIIOYSA-N 2 0 244.335 -1.083 20 0 BAADRP O[C@@H](C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)C[NH+]1CCCC1 ZINC000905468019 637827399 /nfs/dbraw/zinc/82/73/99/637827399.db2.gz UVAXFNZLUXUGQL-YFKTTZPYSA-N 2 0 244.335 -1.083 20 0 BAADRP C[N@H+](CCO)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000905488131 637833627 /nfs/dbraw/zinc/83/36/27/637833627.db2.gz BNYOOKXGBAHECX-GFCCVEGCSA-N 2 0 245.367 -1.043 20 0 BAADRP C[N@H+](CCO)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000905488149 637833408 /nfs/dbraw/zinc/83/34/08/637833408.db2.gz BNYOOKXGBAHECX-LBPRGKRZSA-N 2 0 245.367 -1.043 20 0 BAADRP C[NH+](C[C@H](O)CNCC[N@H+](C)CCO)C1CC1 ZINC000905488544 637835369 /nfs/dbraw/zinc/83/53/69/637835369.db2.gz CWNLMWDPRKNECO-GFCCVEGCSA-N 2 0 245.367 -1.045 20 0 BAADRP C[NH+](C[C@@H](O)CNCC[N@H+](C)CCO)C1CC1 ZINC000905488545 637834655 /nfs/dbraw/zinc/83/46/55/637834655.db2.gz CWNLMWDPRKNECO-LBPRGKRZSA-N 2 0 245.367 -1.045 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911618740 639681933 /nfs/dbraw/zinc/68/19/33/639681933.db2.gz BLXZGSVVNZTMRP-NXEZZACHSA-N 2 0 226.324 -1.160 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911618742 639680824 /nfs/dbraw/zinc/68/08/24/639680824.db2.gz BLXZGSVVNZTMRP-UWVGGRQHSA-N 2 0 226.324 -1.160 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911618743 639681630 /nfs/dbraw/zinc/68/16/30/639681630.db2.gz BLXZGSVVNZTMRP-VHSXEESVSA-N 2 0 226.324 -1.160 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911618744 639681548 /nfs/dbraw/zinc/68/15/48/639681548.db2.gz BLXZGSVVNZTMRP-ZJUUUORDSA-N 2 0 226.324 -1.160 20 0 BAADRP [NH3+]CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911624289 639685328 /nfs/dbraw/zinc/68/53/28/639685328.db2.gz RATFJGJLDBRIMS-JTQLQIEISA-N 2 0 226.280 -1.040 20 0 BAADRP [NH3+]CCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911624293 639685664 /nfs/dbraw/zinc/68/56/64/639685664.db2.gz RATFJGJLDBRIMS-SNVBAGLBSA-N 2 0 226.280 -1.040 20 0 BAADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911629464 639688967 /nfs/dbraw/zinc/68/89/67/639688967.db2.gz VONAZDZCHADZHT-QWRGUYRKSA-N 2 0 240.351 -1.007 20 0 BAADRP [NH3+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911630235 639688938 /nfs/dbraw/zinc/68/89/38/639688938.db2.gz RXLJYTGHKOGYDH-SCZZXKLOSA-N 2 0 213.281 -1.313 20 0 BAADRP [NH3+]CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911652592 639709719 /nfs/dbraw/zinc/70/97/19/639709719.db2.gz URMFNTXWSXYRIX-JTQLQIEISA-N 2 0 215.297 -1.044 20 0 BAADRP [NH3+]CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911652593 639710690 /nfs/dbraw/zinc/71/06/90/639710690.db2.gz URMFNTXWSXYRIX-SNVBAGLBSA-N 2 0 215.297 -1.044 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911659509 711819196 /nfs/dbraw/zinc/81/91/96/711819196.db2.gz APYAYKCHRCFNME-NXEZZACHSA-N 2 0 226.324 -1.290 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911659510 711819280 /nfs/dbraw/zinc/81/92/80/711819280.db2.gz APYAYKCHRCFNME-UWVGGRQHSA-N 2 0 226.324 -1.290 20 0 BAADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911659511 711819273 /nfs/dbraw/zinc/81/92/73/711819273.db2.gz APYAYKCHRCFNME-VHSXEESVSA-N 2 0 226.324 -1.290 20 0 BAADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911659512 711819287 /nfs/dbraw/zinc/81/92/87/711819287.db2.gz APYAYKCHRCFNME-ZJUUUORDSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](O)C[NH2+]1 ZINC000911672925 639693364 /nfs/dbraw/zinc/69/33/64/639693364.db2.gz HIQOEPTYZOVEQK-ATZCPNFKSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H](O)C[NH2+]1 ZINC000911672927 639692267 /nfs/dbraw/zinc/69/22/67/639692267.db2.gz HIQOEPTYZOVEQK-FXPVBKGRSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H](O)C[NH2+]1 ZINC000911672928 639693182 /nfs/dbraw/zinc/69/31/82/639693182.db2.gz HIQOEPTYZOVEQK-IQJOONFLSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](O)C[NH2+]1 ZINC000911672929 639692657 /nfs/dbraw/zinc/69/26/57/639692657.db2.gz HIQOEPTYZOVEQK-WCABBAIRSA-N 2 0 227.308 -1.033 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673361 639734550 /nfs/dbraw/zinc/73/45/50/639734550.db2.gz LUIKVYLLSCJYCM-NXEZZACHSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673362 639734950 /nfs/dbraw/zinc/73/49/50/639734950.db2.gz LUIKVYLLSCJYCM-UWVGGRQHSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673363 639736433 /nfs/dbraw/zinc/73/64/33/639736433.db2.gz LUIKVYLLSCJYCM-VHSXEESVSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673574 639734600 /nfs/dbraw/zinc/73/46/00/639734600.db2.gz LUIKVYLLSCJYCM-ZJUUUORDSA-N 2 0 226.324 -1.242 20 0 BAADRP C[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911677182 639717746 /nfs/dbraw/zinc/71/77/46/639717746.db2.gz NHMZNKZRHKGYIP-SECBINFHSA-N 2 0 214.313 -1.384 20 0 BAADRP C[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911677194 639717030 /nfs/dbraw/zinc/71/70/30/639717030.db2.gz NHMZNKZRHKGYIP-VIFPVBQESA-N 2 0 214.313 -1.384 20 0 BAADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000911694969 639731502 /nfs/dbraw/zinc/73/15/02/639731502.db2.gz HYRQKCMMLFMUOT-UWVGGRQHSA-N 2 0 226.324 -1.397 20 0 BAADRP O=C(NCCN1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000911695273 639731281 /nfs/dbraw/zinc/73/12/81/639731281.db2.gz JXUVKZNUEOUURC-UHFFFAOYSA-N 2 0 238.335 -1.240 20 0 BAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000911696237 639729994 /nfs/dbraw/zinc/72/99/94/639729994.db2.gz UETZERRWMFKJJH-GXSJLCMTSA-N 2 0 227.308 -1.031 20 0 BAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000911696238 639731566 /nfs/dbraw/zinc/73/15/66/639731566.db2.gz UETZERRWMFKJJH-KOLCDFICSA-N 2 0 227.308 -1.031 20 0 BAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000911696239 639730655 /nfs/dbraw/zinc/73/06/55/639730655.db2.gz UETZERRWMFKJJH-MWLCHTKSSA-N 2 0 227.308 -1.031 20 0 BAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000911696240 639730023 /nfs/dbraw/zinc/73/00/23/639730023.db2.gz UETZERRWMFKJJH-ONGXEEELSA-N 2 0 227.308 -1.031 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911696971 639730322 /nfs/dbraw/zinc/73/03/22/639730322.db2.gz YYKPHCIZFPRQJP-BDAKNGLRSA-N 2 0 212.297 -1.632 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696972 639729787 /nfs/dbraw/zinc/72/97/87/639729787.db2.gz YYKPHCIZFPRQJP-DTWKUNHWSA-N 2 0 212.297 -1.632 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696973 639731241 /nfs/dbraw/zinc/73/12/41/639731241.db2.gz YYKPHCIZFPRQJP-IUCAKERBSA-N 2 0 212.297 -1.632 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911696974 639730874 /nfs/dbraw/zinc/73/08/74/639730874.db2.gz YYKPHCIZFPRQJP-RKDXNWHRSA-N 2 0 212.297 -1.632 20 0 BAADRP [NH3+]CCNCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911712378 639737989 /nfs/dbraw/zinc/73/79/89/639737989.db2.gz AQWSRBIXKOXUAS-SECBINFHSA-N 2 0 214.313 -1.126 20 0 BAADRP [NH3+]CCNCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000911712382 639738139 /nfs/dbraw/zinc/73/81/39/639738139.db2.gz AQWSRBIXKOXUAS-VIFPVBQESA-N 2 0 214.313 -1.126 20 0 BAADRP [NH3+]CCNCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713064 639739561 /nfs/dbraw/zinc/73/95/61/639739561.db2.gz FLPQLSPRKZWRLY-SECBINFHSA-N 2 0 214.313 -1.207 20 0 BAADRP [NH3+]CCNCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713065 639740483 /nfs/dbraw/zinc/74/04/83/639740483.db2.gz FLPQLSPRKZWRLY-VIFPVBQESA-N 2 0 214.313 -1.207 20 0 BAADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713149 639740609 /nfs/dbraw/zinc/74/06/09/639740609.db2.gz FYKBNSUTRFTURS-BDAKNGLRSA-N 2 0 215.297 -1.046 20 0 BAADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713150 639740516 /nfs/dbraw/zinc/74/05/16/639740516.db2.gz FYKBNSUTRFTURS-DTWKUNHWSA-N 2 0 215.297 -1.046 20 0 BAADRP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713152 639739163 /nfs/dbraw/zinc/73/91/63/639739163.db2.gz FYKBNSUTRFTURS-IUCAKERBSA-N 2 0 215.297 -1.046 20 0 BAADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713153 639740157 /nfs/dbraw/zinc/74/01/57/639740157.db2.gz FYKBNSUTRFTURS-RKDXNWHRSA-N 2 0 215.297 -1.046 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC000911721335 639744597 /nfs/dbraw/zinc/74/45/97/639744597.db2.gz KPINTZQEFLDAES-NXEZZACHSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911721336 639745126 /nfs/dbraw/zinc/74/51/26/639745126.db2.gz KPINTZQEFLDAES-UWVGGRQHSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC000911721337 639746229 /nfs/dbraw/zinc/74/62/29/639746229.db2.gz KPINTZQEFLDAES-VHSXEESVSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911721338 639744435 /nfs/dbraw/zinc/74/44/35/639744435.db2.gz KPINTZQEFLDAES-ZJUUUORDSA-N 2 0 226.324 -1.290 20 0 BAADRP C[NH2+]CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911743880 639771467 /nfs/dbraw/zinc/77/14/67/639771467.db2.gz DIWKBFOKZYYFON-JTQLQIEISA-N 2 0 215.297 -1.173 20 0 BAADRP C[NH2+]CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911743883 639772060 /nfs/dbraw/zinc/77/20/60/639772060.db2.gz DIWKBFOKZYYFON-SNVBAGLBSA-N 2 0 215.297 -1.173 20 0 BAADRP C[NH2+]CCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000911744662 639771136 /nfs/dbraw/zinc/77/11/36/639771136.db2.gz KAPVJXVUIKPYCS-JTQLQIEISA-N 2 0 244.339 -1.188 20 0 BAADRP C[NH2+]CCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000911744663 639770718 /nfs/dbraw/zinc/77/07/18/639770718.db2.gz KAPVJXVUIKPYCS-SNVBAGLBSA-N 2 0 244.339 -1.188 20 0 BAADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911746677 639770543 /nfs/dbraw/zinc/77/05/43/639770543.db2.gz WDZWSUPIUKLERB-MRVPVSSYSA-N 2 0 200.286 -1.774 20 0 BAADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911746685 639771927 /nfs/dbraw/zinc/77/19/27/639771927.db2.gz WDZWSUPIUKLERB-QMMMGPOBSA-N 2 0 200.286 -1.774 20 0 BAADRP C[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911746790 639770897 /nfs/dbraw/zinc/77/08/97/639770897.db2.gz AFNNYOITNMCZFL-KOLCDFICSA-N 2 0 227.308 -1.052 20 0 BAADRP C[NH2+]CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911749202 639775275 /nfs/dbraw/zinc/77/52/75/639775275.db2.gz YLJJJUFWLIZOCB-SECBINFHSA-N 2 0 242.323 -1.481 20 0 BAADRP C[NH2+]CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911749204 639774492 /nfs/dbraw/zinc/77/44/92/639774492.db2.gz YLJJJUFWLIZOCB-VIFPVBQESA-N 2 0 242.323 -1.481 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911750120 639774943 /nfs/dbraw/zinc/77/49/43/639774943.db2.gz FGQDPSBUDMXPDZ-PSASIEDQSA-N 2 0 215.297 -1.175 20 0 BAADRP CC[NH2+]CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911750121 639775284 /nfs/dbraw/zinc/77/52/84/639775284.db2.gz FGQDPSBUDMXPDZ-SCZZXKLOSA-N 2 0 215.297 -1.175 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911750122 639775912 /nfs/dbraw/zinc/77/59/12/639775912.db2.gz FGQDPSBUDMXPDZ-WCBMZHEXSA-N 2 0 215.297 -1.175 20 0 BAADRP CC[NH2+]CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911750123 639775203 /nfs/dbraw/zinc/77/52/03/639775203.db2.gz FGQDPSBUDMXPDZ-WPRPVWTQSA-N 2 0 215.297 -1.175 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750441 639774771 /nfs/dbraw/zinc/77/47/71/639774771.db2.gz CEYVISSLYUSQML-NXEZZACHSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750443 639775947 /nfs/dbraw/zinc/77/59/47/639775947.db2.gz CEYVISSLYUSQML-UWVGGRQHSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750445 639775019 /nfs/dbraw/zinc/77/50/19/639775019.db2.gz CEYVISSLYUSQML-VHSXEESVSA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750447 639775589 /nfs/dbraw/zinc/77/55/89/639775589.db2.gz CEYVISSLYUSQML-ZJUUUORDSA-N 2 0 226.324 -1.242 20 0 BAADRP CC[NH2+]CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911750593 639777458 /nfs/dbraw/zinc/77/74/58/639777458.db2.gz MGYCNCXKRCUZIW-SECBINFHSA-N 2 0 214.313 -1.384 20 0 BAADRP CC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911750595 639778083 /nfs/dbraw/zinc/77/80/83/639778083.db2.gz MGYCNCXKRCUZIW-VIFPVBQESA-N 2 0 214.313 -1.384 20 0 BAADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC000911751153 639777117 /nfs/dbraw/zinc/77/71/17/639777117.db2.gz JOJKZLIJRAUBDV-ATZCPNFKSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC000911751154 639777399 /nfs/dbraw/zinc/77/73/99/639777399.db2.gz JOJKZLIJRAUBDV-FXPVBKGRSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC000911751399 639778046 /nfs/dbraw/zinc/77/80/46/639778046.db2.gz JOJKZLIJRAUBDV-IQJOONFLSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC000911751400 639777213 /nfs/dbraw/zinc/77/72/13/639777213.db2.gz JOJKZLIJRAUBDV-WCABBAIRSA-N 2 0 227.308 -1.033 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753443 639782084 /nfs/dbraw/zinc/78/20/84/639782084.db2.gz BYPMHKRDIKOBLT-JTQLQIEISA-N 2 0 226.324 -1.242 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753444 639782181 /nfs/dbraw/zinc/78/21/81/639782181.db2.gz BYPMHKRDIKOBLT-SNVBAGLBSA-N 2 0 226.324 -1.242 20 0 BAADRP C[C@]1(C(=O)NCC[NH2+]C2CC2)C[C@H](O)C[NH2+]1 ZINC000911754752 639784069 /nfs/dbraw/zinc/78/40/69/639784069.db2.gz NTOBFUYSOOKCEV-GXSJLCMTSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@@]1(C(=O)NCC[NH2+]C2CC2)C[C@@H](O)C[NH2+]1 ZINC000911754754 639785011 /nfs/dbraw/zinc/78/50/11/639785011.db2.gz NTOBFUYSOOKCEV-KOLCDFICSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@]1(C(=O)NCC[NH2+]C2CC2)C[C@@H](O)C[NH2+]1 ZINC000911754756 639783298 /nfs/dbraw/zinc/78/32/98/639783298.db2.gz NTOBFUYSOOKCEV-MWLCHTKSSA-N 2 0 227.308 -1.033 20 0 BAADRP C[C@@]1(C(=O)NCC[NH2+]C2CC2)C[C@H](O)C[NH2+]1 ZINC000911754757 639784534 /nfs/dbraw/zinc/78/45/34/639784534.db2.gz NTOBFUYSOOKCEV-ONGXEEELSA-N 2 0 227.308 -1.033 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762923 639789196 /nfs/dbraw/zinc/78/91/96/639789196.db2.gz SDUCXFICYHMFRC-MRVPVSSYSA-N 2 0 214.313 -1.257 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762924 639789336 /nfs/dbraw/zinc/78/93/36/639789336.db2.gz SDUCXFICYHMFRC-QMMMGPOBSA-N 2 0 214.313 -1.257 20 0 BAADRP CCCN(C(=O)[C@H]([NH3+])CO)[C@H]1CC[NH2+]C1 ZINC000911766933 639793800 /nfs/dbraw/zinc/79/38/00/639793800.db2.gz HLQCUUHGFFQGDQ-DTWKUNHWSA-N 2 0 215.297 -1.094 20 0 BAADRP CCCN(C(=O)[C@H]([NH3+])CO)[C@@H]1CC[NH2+]C1 ZINC000911766935 639792827 /nfs/dbraw/zinc/79/28/27/639792827.db2.gz HLQCUUHGFFQGDQ-RKDXNWHRSA-N 2 0 215.297 -1.094 20 0 BAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911773446 639796559 /nfs/dbraw/zinc/79/65/59/639796559.db2.gz BXZWFVZVRXSHIG-GHMZBOCLSA-N 2 0 240.351 -1.055 20 0 BAADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CC[NH2+]C1 ZINC000911782457 639799662 /nfs/dbraw/zinc/79/96/62/639799662.db2.gz JNGPGZAJSXHLOM-NXEZZACHSA-N 2 0 226.324 -1.290 20 0 BAADRP CN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1CC[NH2+]C1 ZINC000911782458 639800645 /nfs/dbraw/zinc/80/06/45/639800645.db2.gz JNGPGZAJSXHLOM-UWVGGRQHSA-N 2 0 226.324 -1.290 20 0 BAADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CC[NH2+]C1 ZINC000911782460 639800673 /nfs/dbraw/zinc/80/06/73/639800673.db2.gz JNGPGZAJSXHLOM-VHSXEESVSA-N 2 0 226.324 -1.290 20 0 BAADRP CN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1CC[NH2+]C1 ZINC000911782461 639799824 /nfs/dbraw/zinc/79/98/24/639799824.db2.gz JNGPGZAJSXHLOM-ZJUUUORDSA-N 2 0 226.324 -1.290 20 0 BAADRP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000911783226 639799549 /nfs/dbraw/zinc/79/95/49/639799549.db2.gz RKGYUVTWORHLDX-KKZNHRDASA-N 2 0 227.308 -1.080 20 0 BAADRP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000911783227 639800302 /nfs/dbraw/zinc/80/03/02/639800302.db2.gz RKGYUVTWORHLDX-NGZCFLSTSA-N 2 0 227.308 -1.080 20 0 BAADRP CN(C(=O)[C@]1(C)C[C@H](O)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000911783228 639799904 /nfs/dbraw/zinc/79/99/04/639799904.db2.gz RKGYUVTWORHLDX-QXEWZRGKSA-N 2 0 227.308 -1.080 20 0 BAADRP CN(C(=O)[C@]1(C)C[C@H](O)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000911783229 639800597 /nfs/dbraw/zinc/80/05/97/639800597.db2.gz RKGYUVTWORHLDX-YWVKMMECSA-N 2 0 227.308 -1.080 20 0 BAADRP C[C@@H]1CN(C(=O)C[C@H](O)C[NH3+])C[C@@H](C)[NH2+]1 ZINC000911794555 639818942 /nfs/dbraw/zinc/81/89/42/639818942.db2.gz GQHVPTKTZQDOBS-HLTSFMKQSA-N 2 0 215.297 -1.095 20 0 BAADRP C[C@@H]1CN(C(=O)C[C@@H](O)C[NH3+])C[C@H](C)[NH2+]1 ZINC000911794556 639819370 /nfs/dbraw/zinc/81/93/70/639819370.db2.gz GQHVPTKTZQDOBS-HRDYMLBCSA-N 2 0 215.297 -1.095 20 0 BAADRP C[C@@H]1CN(C(=O)C[C@@H](O)C[NH3+])C[C@@H](C)[NH2+]1 ZINC000911794558 639819269 /nfs/dbraw/zinc/81/92/69/639819269.db2.gz GQHVPTKTZQDOBS-IWSPIJDZSA-N 2 0 215.297 -1.095 20 0 BAADRP C[C@@H]1CN(C(=O)C[C@H](O)C[NH3+])C[C@H](C)[NH2+]1 ZINC000911794560 639819254 /nfs/dbraw/zinc/81/92/54/639819254.db2.gz GQHVPTKTZQDOBS-YIZRAAEISA-N 2 0 215.297 -1.095 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CO)C[C@H](C)[NH2+]1 ZINC000911796245 639818713 /nfs/dbraw/zinc/81/87/13/639818713.db2.gz MZOGAPVDSWKCTA-BIIVOSGPSA-N 2 0 201.270 -1.485 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)C[C@@H](C)[NH2+]1 ZINC000911796246 639808630 /nfs/dbraw/zinc/80/86/30/639808630.db2.gz MZOGAPVDSWKCTA-BWZBUEFSSA-N 2 0 201.270 -1.485 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)C[C@H](C)[NH2+]1 ZINC000911796247 639819122 /nfs/dbraw/zinc/81/91/22/639819122.db2.gz MZOGAPVDSWKCTA-GJMOJQLCSA-N 2 0 201.270 -1.485 20 0 BAADRP [NH3+]CCNCC(=O)NC1(C[NH3+])CCCC1 ZINC000911799092 639820441 /nfs/dbraw/zinc/82/04/41/639820441.db2.gz DZHFYKWLPRGGLK-UHFFFAOYSA-N 2 0 214.313 -1.078 20 0 BAADRP C[C@@H]1CN(C(=O)CNCC[NH3+])C[C@H](C)[NH2+]1 ZINC000911799404 639820677 /nfs/dbraw/zinc/82/06/77/639820677.db2.gz XWAJREUXVYAAPM-DTORHVGOSA-N 2 0 214.313 -1.257 20 0 BAADRP C[C@H]1CN(C(=O)CNCC[NH3+])C[C@H](C)[NH2+]1 ZINC000911799406 639820757 /nfs/dbraw/zinc/82/07/57/639820757.db2.gz XWAJREUXVYAAPM-IUCAKERBSA-N 2 0 214.313 -1.257 20 0 BAADRP C[C@@H]1CN(C(=O)CNCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000911799408 639821477 /nfs/dbraw/zinc/82/14/77/639821477.db2.gz XWAJREUXVYAAPM-RKDXNWHRSA-N 2 0 214.313 -1.257 20 0 BAADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[NH2+]1 ZINC000911801303 639823010 /nfs/dbraw/zinc/82/30/10/639823010.db2.gz BNLOAGKYOGITCS-FXPVBKGRSA-N 2 0 227.308 -1.080 20 0 BAADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[NH2+]1 ZINC000911801304 639823162 /nfs/dbraw/zinc/82/31/62/639823162.db2.gz BNLOAGKYOGITCS-KKZNHRDASA-N 2 0 227.308 -1.080 20 0 BAADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[NH2+]1 ZINC000911801305 639822197 /nfs/dbraw/zinc/82/21/97/639822197.db2.gz BNLOAGKYOGITCS-WCABBAIRSA-N 2 0 227.308 -1.080 20 0 BAADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[NH2+]1 ZINC000911801306 639821851 /nfs/dbraw/zinc/82/18/51/639821851.db2.gz BNLOAGKYOGITCS-YWVKMMECSA-N 2 0 227.308 -1.080 20 0 BAADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC000911801935 639823838 /nfs/dbraw/zinc/82/38/38/639823838.db2.gz HJJDSIDHAXMHNA-NXEZZACHSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC000911801936 639824241 /nfs/dbraw/zinc/82/42/41/639824241.db2.gz HJJDSIDHAXMHNA-UWVGGRQHSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC000911801937 639824797 /nfs/dbraw/zinc/82/47/97/639824797.db2.gz HJJDSIDHAXMHNA-VHSXEESVSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[NH2+]1 ZINC000911801938 639823802 /nfs/dbraw/zinc/82/38/02/639823802.db2.gz HJJDSIDHAXMHNA-ZJUUUORDSA-N 2 0 226.324 -1.290 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911812359 639834870 /nfs/dbraw/zinc/83/48/70/639834870.db2.gz YEAWLSDOMPSDRG-BDAKNGLRSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC000911812360 639834286 /nfs/dbraw/zinc/83/42/86/639834286.db2.gz YEAWLSDOMPSDRG-DTWKUNHWSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911812361 639834897 /nfs/dbraw/zinc/83/48/97/639834897.db2.gz YEAWLSDOMPSDRG-IUCAKERBSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC000911812362 639834633 /nfs/dbraw/zinc/83/46/33/639834633.db2.gz YEAWLSDOMPSDRG-RKDXNWHRSA-N 2 0 214.313 -1.304 20 0 BAADRP C[C@H]1CCCN(C(=O)[C@H]([NH3+])CO)[C@@H]1C[NH3+] ZINC000911827514 639839492 /nfs/dbraw/zinc/83/94/92/639839492.db2.gz VYRVGEAZNLHTLO-DJLDLDEBSA-N 2 0 215.297 -1.108 20 0 BAADRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CO)[C@H]1C[NH3+] ZINC000911827515 639838967 /nfs/dbraw/zinc/83/89/67/639838967.db2.gz VYRVGEAZNLHTLO-HLTSFMKQSA-N 2 0 215.297 -1.108 20 0 BAADRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CO)[C@@H]1C[NH3+] ZINC000911827517 639839749 /nfs/dbraw/zinc/83/97/49/639839749.db2.gz VYRVGEAZNLHTLO-IWSPIJDZSA-N 2 0 215.297 -1.108 20 0 BAADRP C[C@H]1CCCN(C(=O)[C@H]([NH3+])CO)[C@H]1C[NH3+] ZINC000911827519 639839677 /nfs/dbraw/zinc/83/96/77/639839677.db2.gz VYRVGEAZNLHTLO-YIZRAAEISA-N 2 0 215.297 -1.108 20 0 BAADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911827948 639838614 /nfs/dbraw/zinc/83/86/14/639838614.db2.gz YKDGIBAGCZNLFZ-NXEZZACHSA-N 2 0 228.340 -1.011 20 0 BAADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911827951 639838666 /nfs/dbraw/zinc/83/86/66/639838666.db2.gz YKDGIBAGCZNLFZ-UWVGGRQHSA-N 2 0 228.340 -1.011 20 0 BAADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911827954 639839800 /nfs/dbraw/zinc/83/98/00/639839800.db2.gz YKDGIBAGCZNLFZ-VHSXEESVSA-N 2 0 228.340 -1.011 20 0 BAADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911827957 639839592 /nfs/dbraw/zinc/83/95/92/639839592.db2.gz YKDGIBAGCZNLFZ-ZJUUUORDSA-N 2 0 228.340 -1.011 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833923 639844899 /nfs/dbraw/zinc/84/48/99/639844899.db2.gz MIKAMIUNIAQRGO-NXEZZACHSA-N 2 0 226.324 -1.257 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833924 639845069 /nfs/dbraw/zinc/84/50/69/639845069.db2.gz MIKAMIUNIAQRGO-UWVGGRQHSA-N 2 0 226.324 -1.257 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833925 639845616 /nfs/dbraw/zinc/84/56/16/639845616.db2.gz MIKAMIUNIAQRGO-VHSXEESVSA-N 2 0 226.324 -1.257 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833926 639845927 /nfs/dbraw/zinc/84/59/27/639845927.db2.gz MIKAMIUNIAQRGO-ZJUUUORDSA-N 2 0 226.324 -1.257 20 0 BAADRP CC1(C)C[NH2+]CCN1C(=O)CNCC[NH3+] ZINC000911844968 639854947 /nfs/dbraw/zinc/85/49/47/639854947.db2.gz HYHOCJWLGAUFJZ-UHFFFAOYSA-N 2 0 214.313 -1.255 20 0 BAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845834 639855019 /nfs/dbraw/zinc/85/50/19/639855019.db2.gz DXJSOOVRURGSLV-MRVPVSSYSA-N 2 0 214.313 -1.257 20 0 BAADRP CN1CC[NH2+]C[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845836 639854622 /nfs/dbraw/zinc/85/46/22/639854622.db2.gz DXJSOOVRURGSLV-QMMMGPOBSA-N 2 0 214.313 -1.257 20 0 BAADRP CC(C)([NH3+])CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911847785 639856492 /nfs/dbraw/zinc/85/64/92/639856492.db2.gz PXRJMBCDJWMWCJ-GMSGAONNSA-N 2 0 215.297 -1.047 20 0 BAADRP CC(C)([NH3+])CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911847786 639856906 /nfs/dbraw/zinc/85/69/06/639856906.db2.gz PXRJMBCDJWMWCJ-OIBJUYFYSA-N 2 0 215.297 -1.047 20 0 BAADRP CC(C)([NH3+])CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911847787 639856475 /nfs/dbraw/zinc/85/64/75/639856475.db2.gz PXRJMBCDJWMWCJ-XCBNKYQSSA-N 2 0 215.297 -1.047 20 0 BAADRP CC(C)([NH3+])CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911847788 639856761 /nfs/dbraw/zinc/85/67/61/639856761.db2.gz PXRJMBCDJWMWCJ-XVKPBYJWSA-N 2 0 215.297 -1.047 20 0 BAADRP CC1(C)C[NH2+]CCN1C(=O)C[C@@H](O)C[NH3+] ZINC000911848161 639858113 /nfs/dbraw/zinc/85/81/13/639858113.db2.gz VFAVDULEQLSYCH-MRVPVSSYSA-N 2 0 215.297 -1.094 20 0 BAADRP CC1(C)C[NH2+]CCN1C(=O)C[C@H](O)C[NH3+] ZINC000911848162 639857504 /nfs/dbraw/zinc/85/75/04/639857504.db2.gz VFAVDULEQLSYCH-QMMMGPOBSA-N 2 0 215.297 -1.094 20 0 BAADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]([NH3+])CO ZINC000911849258 639858577 /nfs/dbraw/zinc/85/85/77/639858577.db2.gz ZKYWOHBLFJHIOT-SSDOTTSWSA-N 2 0 201.270 -1.484 20 0 BAADRP CN(CC(C)(C)C[NH3+])C(=O)CNCC[NH3+] ZINC000911865483 639851821 /nfs/dbraw/zinc/85/18/21/639851821.db2.gz RELMAYLRXBTQQC-UHFFFAOYSA-N 2 0 216.329 -1.022 20 0 BAADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])CO ZINC000911865770 639851471 /nfs/dbraw/zinc/85/14/71/639851471.db2.gz XCDBANXBNHXZPB-SSDOTTSWSA-N 2 0 203.286 -1.251 20 0 BAADRP CN1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000911874966 639863592 /nfs/dbraw/zinc/86/35/92/639863592.db2.gz GKRCUZWURYIBJJ-KXUCPTDWSA-N 2 0 226.324 -1.318 20 0 BAADRP CN1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000911874967 639862720 /nfs/dbraw/zinc/86/27/20/639862720.db2.gz GKRCUZWURYIBJJ-OPRDCNLKSA-N 2 0 226.324 -1.318 20 0 BAADRP C[NH+](C)CC(=O)NCC[N@H+](C)CCOCCO ZINC000922121346 643865644 /nfs/dbraw/zinc/86/56/44/643865644.db2.gz FFBPJNVOSUHHTK-UHFFFAOYSA-N 2 0 247.339 -1.395 20 0 BAADRP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923285330 644316869 /nfs/dbraw/zinc/31/68/69/644316869.db2.gz GVILZHZVYBVGKG-SRVKXCTJSA-N 3 0 242.367 -1.326 20 0 BAADRP CNC(=O)CC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311102 644347548 /nfs/dbraw/zinc/34/75/48/644347548.db2.gz HOGPZLIAEBLSCZ-CIUDSAMLSA-N 2 0 215.297 -1.095 20 0 BAADRP [NH3+]CCN(CCO)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923332729 644355238 /nfs/dbraw/zinc/35/52/38/644355238.db2.gz WGAZYAAYZSGLFC-JTQLQIEISA-N 2 0 229.324 -1.382 20 0 BAADRP [NH3+]CCN(CCO)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923332732 644354341 /nfs/dbraw/zinc/35/43/41/644354341.db2.gz WGAZYAAYZSGLFC-SNVBAGLBSA-N 2 0 229.324 -1.382 20 0 BAADRP [NH3+]CCN(CCC[NH2+]C1CC1)C[C@@H](O)CO ZINC000923390752 644397385 /nfs/dbraw/zinc/39/73/85/644397385.db2.gz VOUBIDGFYBPVQD-LLVKDONJSA-N 2 0 231.340 -1.258 20 0 BAADRP [NH3+]CCN(CCC[NH2+]C1CC1)C[C@H](O)CO ZINC000923390755 644396927 /nfs/dbraw/zinc/39/69/27/644396927.db2.gz VOUBIDGFYBPVQD-NSHDSACASA-N 2 0 231.340 -1.258 20 0 BAADRP C[N@H+](CCOCC[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923403461 644406561 /nfs/dbraw/zinc/40/65/61/644406561.db2.gz QFUIWGSSICOYII-GUBZILKMSA-N 3 0 217.313 -1.256 20 0 BAADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000923409977 644412164 /nfs/dbraw/zinc/41/21/64/644412164.db2.gz CYPYHPNMYACTJY-SDDRHHMPSA-N 2 0 243.351 -1.028 20 0 BAADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000923409986 644410726 /nfs/dbraw/zinc/41/07/26/644410726.db2.gz CYPYHPNMYACTJY-SRVKXCTJSA-N 2 0 243.351 -1.028 20 0 BAADRP COC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459690 644439901 /nfs/dbraw/zinc/43/99/01/644439901.db2.gz LPDXXRZJYWYPCT-UHFFFAOYSA-N 2 0 201.270 -1.346 20 0 BAADRP [NH3+]CCOCCN1CCC[C@@]([NH3+])(CO)C1 ZINC000923471280 644449081 /nfs/dbraw/zinc/44/90/81/644449081.db2.gz DPWDKCRGNORYNK-JTQLQIEISA-N 2 0 217.313 -1.253 20 0 BAADRP [NH3+]CCOCCN1CCC[C@]([NH3+])(CO)C1 ZINC000923471290 644448748 /nfs/dbraw/zinc/44/87/48/644448748.db2.gz DPWDKCRGNORYNK-SNVBAGLBSA-N 2 0 217.313 -1.253 20 0 BAADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000923531755 644489914 /nfs/dbraw/zinc/48/99/14/644489914.db2.gz VBFZTFRZCRWJGH-MRVPVSSYSA-N 2 0 221.326 -1.054 20 0 BAADRP NS(=O)(=O)C[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000923531756 644489443 /nfs/dbraw/zinc/48/94/43/644489443.db2.gz VBFZTFRZCRWJGH-QMMMGPOBSA-N 2 0 221.326 -1.054 20 0 BAADRP C[NH2+][C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923563317 644504789 /nfs/dbraw/zinc/50/47/89/644504789.db2.gz SPFHBWVPYKPSOH-SSDOTTSWSA-N 2 0 219.310 -1.418 20 0 BAADRP C[NH2+][C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923563321 644503992 /nfs/dbraw/zinc/50/39/92/644503992.db2.gz SPFHBWVPYKPSOH-ZETCQYMHSA-N 2 0 219.310 -1.418 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CCC[NH2+]CC1 ZINC000923563725 644505182 /nfs/dbraw/zinc/50/51/82/644505182.db2.gz WZZZGFZVENEXBD-UHFFFAOYSA-N 2 0 219.310 -1.417 20 0 BAADRP [NH3+][C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923563740 644504411 /nfs/dbraw/zinc/50/44/11/644504411.db2.gz OBXPSNZDVZLDPT-SECBINFHSA-N 2 0 248.352 -1.441 20 0 BAADRP [NH3+][C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923563742 644505504 /nfs/dbraw/zinc/50/55/04/644505504.db2.gz OBXPSNZDVZLDPT-VIFPVBQESA-N 2 0 248.352 -1.441 20 0 BAADRP O=S(=O)(NCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000923563834 644505230 /nfs/dbraw/zinc/50/52/30/644505230.db2.gz YRYBUZFNNZHZFM-UHFFFAOYSA-N 2 0 233.337 -1.123 20 0 BAADRP [NH3+][C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923563858 644504479 /nfs/dbraw/zinc/50/44/79/644504479.db2.gz QBLHVFPLTQWWSP-ZCFIWIBFSA-N 2 0 205.283 -1.679 20 0 BAADRP [NH3+]C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923564029 644505961 /nfs/dbraw/zinc/50/59/61/644505961.db2.gz QYBLCHJRQJOAMP-UHFFFAOYSA-N 2 0 219.310 -1.289 20 0 BAADRP [NH3+]C[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923564682 644505074 /nfs/dbraw/zinc/50/50/74/644505074.db2.gz BMRVZHRKNCMDRC-MRVPVSSYSA-N 2 0 233.337 -1.041 20 0 BAADRP [NH3+]C[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923564683 644505560 /nfs/dbraw/zinc/50/55/60/644505560.db2.gz BMRVZHRKNCMDRC-QMMMGPOBSA-N 2 0 233.337 -1.041 20 0 BAADRP [NH3+][C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923565630 644505025 /nfs/dbraw/zinc/50/50/25/644505025.db2.gz IVOHLRSHJGRFKD-QMMMGPOBSA-N 2 0 234.325 -1.831 20 0 BAADRP O=S(=O)(NC[C@@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000923565780 644505254 /nfs/dbraw/zinc/50/52/54/644505254.db2.gz FTACHVOCPNUYKW-MRVPVSSYSA-N 2 0 233.337 -1.123 20 0 BAADRP O=S(=O)(NC[C@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000923565782 644504748 /nfs/dbraw/zinc/50/47/48/644504748.db2.gz FTACHVOCPNUYKW-QMMMGPOBSA-N 2 0 233.337 -1.123 20 0 BAADRP O=S(=O)(N[C@H]1CC[NH2+]C1)C1C[NH2+]C1 ZINC000923565821 644505004 /nfs/dbraw/zinc/50/50/04/644505004.db2.gz GDGMDWYEIZSFCD-LURJTMIESA-N 2 0 205.283 -1.761 20 0 BAADRP O=S(=O)(N[C@@H]1CC[NH2+]C1)C1C[NH2+]C1 ZINC000923565823 644505104 /nfs/dbraw/zinc/50/51/04/644505104.db2.gz GDGMDWYEIZSFCD-ZCFIWIBFSA-N 2 0 205.283 -1.761 20 0 BAADRP CC[NH2+]CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923566093 644506235 /nfs/dbraw/zinc/50/62/35/644506235.db2.gz IKGDNLNGBPVXSY-UHFFFAOYSA-N 2 0 221.326 -1.123 20 0 BAADRP [NH3+]C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923566284 644506206 /nfs/dbraw/zinc/50/62/06/644506206.db2.gz MGNPSGWBBPEODZ-SSDOTTSWSA-N 2 0 219.310 -1.431 20 0 BAADRP [NH3+]C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923566285 644506146 /nfs/dbraw/zinc/50/61/46/644506146.db2.gz MGNPSGWBBPEODZ-ZETCQYMHSA-N 2 0 219.310 -1.431 20 0 BAADRP [NH3+][C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923566915 644502967 /nfs/dbraw/zinc/50/29/67/644502967.db2.gz QBLHVFPLTQWWSP-LURJTMIESA-N 2 0 205.283 -1.679 20 0 BAADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923567810 644511015 /nfs/dbraw/zinc/51/10/15/644511015.db2.gz DRWUWSIVZIMKSF-LURJTMIESA-N 2 0 207.299 -1.433 20 0 BAADRP C[C@H](C[NH3+])N(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923567811 644511150 /nfs/dbraw/zinc/51/11/50/644511150.db2.gz DRWUWSIVZIMKSF-ZCFIWIBFSA-N 2 0 207.299 -1.433 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000923568042 712341121 /nfs/dbraw/zinc/34/11/21/712341121.db2.gz DWUSQMTUISANHN-APPZFPTMSA-N 2 0 233.337 -1.043 20 0 BAADRP C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000923568047 712341071 /nfs/dbraw/zinc/34/10/71/712341071.db2.gz DWUSQMTUISANHN-CBAPKCEASA-N 2 0 233.337 -1.043 20 0 BAADRP C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000923568050 712341077 /nfs/dbraw/zinc/34/10/77/712341077.db2.gz DWUSQMTUISANHN-IONNQARKSA-N 2 0 233.337 -1.043 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000923568053 712341205 /nfs/dbraw/zinc/34/12/05/712341205.db2.gz DWUSQMTUISANHN-VXNVDRBHSA-N 2 0 233.337 -1.043 20 0 BAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923568159 712341159 /nfs/dbraw/zinc/34/11/59/712341159.db2.gz YVTRMZPTIRFQHF-UHFFFAOYSA-N 2 0 233.337 -1.028 20 0 BAADRP C[NH2+]C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923568946 712341152 /nfs/dbraw/zinc/34/11/52/712341152.db2.gz ISHFZTGAQFGXTD-UHFFFAOYSA-N 2 0 233.337 -1.028 20 0 BAADRP C[C@@H]([NH3+])CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923569174 712341116 /nfs/dbraw/zinc/34/11/16/712341116.db2.gz BGGGRPURKRMICE-MRVPVSSYSA-N 2 0 236.341 -1.537 20 0 BAADRP C[C@H]([NH3+])CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923569175 712341081 /nfs/dbraw/zinc/34/10/81/712341081.db2.gz BGGGRPURKRMICE-QMMMGPOBSA-N 2 0 236.341 -1.537 20 0 BAADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)C1C[NH2+]C1 ZINC000923569348 644507538 /nfs/dbraw/zinc/50/75/38/644507538.db2.gz LPEVUEILRLEWRF-SSDOTTSWSA-N 2 0 219.310 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2 0 248.352 -1.570 20 0 BAADRP CN([C@H]1CC[NH2+]C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923570292 644507514 /nfs/dbraw/zinc/50/75/14/644507514.db2.gz QEBDZMFDKKIQDR-VIFPVBQESA-N 2 0 248.352 -1.570 20 0 BAADRP CC[NH2+]CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923570406 644507227 /nfs/dbraw/zinc/50/72/27/644507227.db2.gz JWBBELAADKAFLO-UHFFFAOYSA-N 2 0 207.299 -1.513 20 0 BAADRP CC(C)(C[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923570866 644507271 /nfs/dbraw/zinc/50/72/71/644507271.db2.gz NLUHXZHASRPNHA-UHFFFAOYSA-N 2 0 207.299 -1.385 20 0 BAADRP O=S(=O)(NCC[NH2+]C1CC1)N1CC[NH2+]CC1 ZINC000923570889 644508663 /nfs/dbraw/zinc/50/86/63/644508663.db2.gz OAZBXHRVHWXPJG-UHFFFAOYSA-N 2 0 248.352 -1.522 20 0 BAADRP C[C@H](C[NH3+])N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923571027 644508863 /nfs/dbraw/zinc/50/88/63/644508863.db2.gz YUCKITFLIPFJMT-MRVPVSSYSA-N 2 0 236.341 -1.585 20 0 BAADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923571033 644508924 /nfs/dbraw/zinc/50/89/24/644508924.db2.gz YUCKITFLIPFJMT-QMMMGPOBSA-N 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ZINC000923574493 644513256 /nfs/dbraw/zinc/51/32/56/644513256.db2.gz TWHISTGYXACQDO-VIFPVBQESA-N 2 0 248.352 -1.441 20 0 BAADRP CC(C)([NH3+])CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923574579 644513087 /nfs/dbraw/zinc/51/30/87/644513087.db2.gz UVQGOCRJVPJJEQ-UHFFFAOYSA-N 2 0 236.341 -1.537 20 0 BAADRP CC(C)([NH3+])CNS(=O)(=O)C1C[NH2+]C1 ZINC000923574650 644513667 /nfs/dbraw/zinc/51/36/67/644513667.db2.gz VIAGNJFGJVEHAQ-UHFFFAOYSA-N 2 0 207.299 -1.385 20 0 BAADRP [NH3+]C[C@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923575138 644513481 /nfs/dbraw/zinc/51/34/81/644513481.db2.gz XLMCYBLRNISZDK-SSDOTTSWSA-N 2 0 219.310 -1.289 20 0 BAADRP [NH3+]C[C@@H]1CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923575140 644513313 /nfs/dbraw/zinc/51/33/13/644513313.db2.gz XLMCYBLRNISZDK-ZETCQYMHSA-N 2 0 219.310 -1.289 20 0 BAADRP CN1CCN(S(=O)(=O)C2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000923578051 644512070 /nfs/dbraw/zinc/51/20/70/644512070.db2.gz XGPVTVIFWLFLJO-MRVPVSSYSA-N 2 0 248.352 -2.137 20 0 BAADRP CN1CCN(S(=O)(=O)C2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000923578052 644511883 /nfs/dbraw/zinc/51/18/83/644511883.db2.gz XGPVTVIFWLFLJO-QMMMGPOBSA-N 2 0 248.352 -2.137 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923578357 644512321 /nfs/dbraw/zinc/51/23/21/644512321.db2.gz YSGBBQWCTXCCCA-APPZFPTMSA-N 2 0 249.336 -1.664 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923578360 644512063 /nfs/dbraw/zinc/51/20/63/644512063.db2.gz YSGBBQWCTXCCCA-CBAPKCEASA-N 2 0 249.336 -1.664 20 0 BAADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923578362 644512395 /nfs/dbraw/zinc/51/23/95/644512395.db2.gz YSGBBQWCTXCCCA-IONNQARKSA-N 2 0 249.336 -1.664 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923578363 644511808 /nfs/dbraw/zinc/51/18/08/644511808.db2.gz YSGBBQWCTXCCCA-VXNVDRBHSA-N 2 0 249.336 -1.664 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000923631694 645761961 /nfs/dbraw/zinc/76/19/61/645761961.db2.gz AQILOZKOBQEQMN-JTQLQIEISA-N 2 0 245.348 -1.027 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923631696 645762354 /nfs/dbraw/zinc/76/23/54/645762354.db2.gz AQILOZKOBQEQMN-SNVBAGLBSA-N 2 0 245.348 -1.027 20 0 BAADRP C[C@H](C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923631771 645762256 /nfs/dbraw/zinc/76/22/56/645762256.db2.gz BLMZRKGEISETRB-SSDOTTSWSA-N 2 0 222.314 -1.927 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000923632230 645761876 /nfs/dbraw/zinc/76/18/76/645761876.db2.gz DXMSDUIXIVDNBW-HTQZYQBOSA-N 2 0 233.337 -1.030 20 0 BAADRP C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923632233 645762033 /nfs/dbraw/zinc/76/20/33/645762033.db2.gz DXMSDUIXIVDNBW-JGVFFNPUSA-N 2 0 233.337 -1.030 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000923632235 645762456 /nfs/dbraw/zinc/76/24/56/645762456.db2.gz DXMSDUIXIVDNBW-SFYZADRCSA-N 2 0 233.337 -1.030 20 0 BAADRP C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000923632238 645762385 /nfs/dbraw/zinc/76/23/85/645762385.db2.gz DXMSDUIXIVDNBW-YUMQZZPRSA-N 2 0 233.337 -1.030 20 0 BAADRP C[C@@H](C[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923632638 645761904 /nfs/dbraw/zinc/76/19/04/645761904.db2.gz BLMZRKGEISETRB-ZETCQYMHSA-N 2 0 222.314 -1.927 20 0 BAADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@H]12 ZINC000923633239 712625356 /nfs/dbraw/zinc/62/53/56/712625356.db2.gz IFLRCVIMPJNDLN-FKTZTGRPSA-N 2 0 245.348 -1.043 20 0 BAADRP [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@@H]12 ZINC000923633242 712625388 /nfs/dbraw/zinc/62/53/88/712625388.db2.gz IFLRCVIMPJNDLN-FXBDTBDDSA-N 2 0 245.348 -1.043 20 0 BAADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@@H]12 ZINC000923633246 712625342 /nfs/dbraw/zinc/62/53/42/712625342.db2.gz IFLRCVIMPJNDLN-SZEHBUNVSA-N 2 0 245.348 -1.043 20 0 BAADRP [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@H]12 ZINC000923633250 712625381 /nfs/dbraw/zinc/62/53/81/712625381.db2.gz IFLRCVIMPJNDLN-UJNFCWOMSA-N 2 0 245.348 -1.043 20 0 BAADRP C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923633472 645763656 /nfs/dbraw/zinc/76/36/56/645763656.db2.gz AFATVSPQMZESFR-HTQZYQBOSA-N 2 0 233.337 -1.043 20 0 BAADRP C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923633474 645763750 /nfs/dbraw/zinc/76/37/50/645763750.db2.gz AFATVSPQMZESFR-JGVFFNPUSA-N 2 0 233.337 -1.043 20 0 BAADRP C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923633477 645763713 /nfs/dbraw/zinc/76/37/13/645763713.db2.gz AFATVSPQMZESFR-SFYZADRCSA-N 2 0 233.337 -1.043 20 0 BAADRP C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923633480 645763698 /nfs/dbraw/zinc/76/36/98/645763698.db2.gz AFATVSPQMZESFR-YUMQZZPRSA-N 2 0 233.337 -1.043 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000923634080 712625392 /nfs/dbraw/zinc/62/53/92/712625392.db2.gz BUTKIYFKFUGLLH-BDAKNGLRSA-N 2 0 248.352 -1.585 20 0 BAADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000923634084 712625395 /nfs/dbraw/zinc/62/53/95/712625395.db2.gz BUTKIYFKFUGLLH-DTWKUNHWSA-N 2 0 248.352 -1.585 20 0 BAADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000923634086 712625364 /nfs/dbraw/zinc/62/53/64/712625364.db2.gz BUTKIYFKFUGLLH-IUCAKERBSA-N 2 0 248.352 -1.585 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000923634088 712625401 /nfs/dbraw/zinc/62/54/01/712625401.db2.gz BUTKIYFKFUGLLH-RKDXNWHRSA-N 2 0 248.352 -1.585 20 0 BAADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923634408 712625666 /nfs/dbraw/zinc/62/56/66/712625666.db2.gz NVGYDTIHCLAVOO-SSDOTTSWSA-N 2 0 235.309 -2.053 20 0 BAADRP [NH3+]C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923634415 712625654 /nfs/dbraw/zinc/62/56/54/712625654.db2.gz NVGYDTIHCLAVOO-ZETCQYMHSA-N 2 0 235.309 -2.053 20 0 BAADRP C[C@@H](C[NH3+])CNS(=O)(=O)C1C[NH2+]C1 ZINC000923634469 712625637 /nfs/dbraw/zinc/62/56/37/712625637.db2.gz KHPRWIXWUDFQIJ-LURJTMIESA-N 2 0 207.299 -1.528 20 0 BAADRP C[C@H](C[NH3+])CNS(=O)(=O)C1C[NH2+]C1 ZINC000923634473 712625672 /nfs/dbraw/zinc/62/56/72/712625672.db2.gz KHPRWIXWUDFQIJ-ZCFIWIBFSA-N 2 0 207.299 -1.528 20 0 BAADRP [NH3+][C@H](CNS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000923634984 645764824 /nfs/dbraw/zinc/76/48/24/645764824.db2.gz LZYIRFVDKFSZET-SECBINFHSA-N 2 0 248.352 -1.537 20 0 BAADRP [NH3+][C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000923634988 645765149 /nfs/dbraw/zinc/76/51/49/645765149.db2.gz LZYIRFVDKFSZET-VIFPVBQESA-N 2 0 248.352 -1.537 20 0 BAADRP [NH3+]C1(CNS(=O)(=O)C2C[NH2+]C2)CCC1 ZINC000923635091 645765718 /nfs/dbraw/zinc/76/57/18/645765718.db2.gz MEWBDAADZYATDV-UHFFFAOYSA-N 2 0 219.310 -1.241 20 0 BAADRP C[C@H](CC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923635463 645766147 /nfs/dbraw/zinc/76/61/47/645766147.db2.gz IQTMTCNBXOLWOX-MRVPVSSYSA-N 2 0 236.341 -1.537 20 0 BAADRP C[C@@H](CC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923635464 645766368 /nfs/dbraw/zinc/76/63/68/645766368.db2.gz IQTMTCNBXOLWOX-QMMMGPOBSA-N 2 0 236.341 -1.537 20 0 BAADRP [NH3+][C@H](CNS(=O)(=O)C1C[NH2+]C1)C1CC1 ZINC000923635497 645765978 /nfs/dbraw/zinc/76/59/78/645765978.db2.gz NLLPYVUOMZHJSS-MRVPVSSYSA-N 2 0 219.310 -1.385 20 0 BAADRP [NH3+][C@@H](CNS(=O)(=O)C1C[NH2+]C1)C1CC1 ZINC000923635499 645766324 /nfs/dbraw/zinc/76/63/24/645766324.db2.gz NLLPYVUOMZHJSS-QMMMGPOBSA-N 2 0 219.310 -1.385 20 0 BAADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923635871 645766346 /nfs/dbraw/zinc/76/63/46/645766346.db2.gz IQUGEEVKADQCJM-MRVPVSSYSA-N 2 0 233.337 -1.028 20 0 BAADRP C[NH2+][C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923635873 645766416 /nfs/dbraw/zinc/76/64/16/645766416.db2.gz IQUGEEVKADQCJM-QMMMGPOBSA-N 2 0 233.337 -1.028 20 0 BAADRP [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923635972 645765920 /nfs/dbraw/zinc/76/59/20/645765920.db2.gz KTMWSVINDVHQRF-BQBZGAKWSA-N 2 0 237.300 -1.341 20 0 BAADRP C[C@H](C[NH3+])CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923636159 645766261 /nfs/dbraw/zinc/76/62/61/645766261.db2.gz QLUJVJGCEAQAMW-MRVPVSSYSA-N 2 0 236.341 -1.679 20 0 BAADRP C[C@@H](C[NH3+])CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923636161 645766215 /nfs/dbraw/zinc/76/62/15/645766215.db2.gz QLUJVJGCEAQAMW-QMMMGPOBSA-N 2 0 236.341 -1.679 20 0 BAADRP [NH3+]C1(CNS(=O)(=O)N2CC[NH2+]CC2)CCC1 ZINC000923636339 645766188 /nfs/dbraw/zinc/76/61/88/645766188.db2.gz SUQYKOCJNJTSTJ-UHFFFAOYSA-N 2 0 248.352 -1.393 20 0 BAADRP [NH3+][C@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923636645 645766127 /nfs/dbraw/zinc/76/61/27/645766127.db2.gz MLCBWZTUAZMLTB-OCAPTIKFSA-N 2 0 234.325 -1.784 20 0 BAADRP [NH3+][C@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923636646 645766386 /nfs/dbraw/zinc/76/63/86/645766386.db2.gz MLCBWZTUAZMLTB-ZKCHVHJHSA-N 2 0 234.325 -1.784 20 0 BAADRP CC[NH2+][C@H](C)CNS(=O)(=O)C1C[NH2+]C1 ZINC000923636968 645766950 /nfs/dbraw/zinc/76/69/50/645766950.db2.gz SCRINQWPAFHHQR-SSDOTTSWSA-N 2 0 221.326 -1.124 20 0 BAADRP COCC[NH2+]CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923636975 645766844 /nfs/dbraw/zinc/76/68/44/645766844.db2.gz SQDBOVDCRSVOJH-UHFFFAOYSA-N 2 0 237.325 -1.886 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923636980 645767050 /nfs/dbraw/zinc/76/70/50/645767050.db2.gz SSVYQDYYIIEFGC-OCAPTIKFSA-N 2 0 231.321 -1.561 20 0 BAADRP [NH3+]CC1CC(NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923637112 645766880 /nfs/dbraw/zinc/76/68/80/645766880.db2.gz OOGUQPBYVQFURE-UHFFFAOYSA-N 2 0 219.310 -1.385 20 0 BAADRP C[C@@H](CC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923637793 645774409 /nfs/dbraw/zinc/77/44/09/645774409.db2.gz UBAJCNDHYOICLF-LURJTMIESA-N 2 0 207.299 -1.385 20 0 BAADRP C[C@H](CC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923637794 645774438 /nfs/dbraw/zinc/77/44/38/645774438.db2.gz UBAJCNDHYOICLF-ZCFIWIBFSA-N 2 0 207.299 -1.385 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1[NH3+] ZINC000923637839 645774561 /nfs/dbraw/zinc/77/45/61/645774561.db2.gz UYMPOXRYKPBVPM-HTRCEHHLSA-N 2 0 219.310 -1.433 20 0 BAADRP C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1[NH3+] ZINC000923637840 645774425 /nfs/dbraw/zinc/77/44/25/645774425.db2.gz UYMPOXRYKPBVPM-POYBYMJQSA-N 2 0 219.310 -1.433 20 0 BAADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1[NH3+] ZINC000923637841 645774578 /nfs/dbraw/zinc/77/45/78/645774578.db2.gz UYMPOXRYKPBVPM-SVRRBLITSA-N 2 0 219.310 -1.433 20 0 BAADRP C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1[NH3+] ZINC000923637842 645774697 /nfs/dbraw/zinc/77/46/97/645774697.db2.gz UYMPOXRYKPBVPM-XPUUQOCRSA-N 2 0 219.310 -1.433 20 0 BAADRP O=S(=O)(NCC1=CC[NH2+]CC1)C1C[NH2+]C1 ZINC000923638082 645775256 /nfs/dbraw/zinc/77/52/56/645775256.db2.gz CFFLMNAIQMWQNI-UHFFFAOYSA-N 2 0 231.321 -1.203 20 0 BAADRP O=S(=O)(NC[C@@H]1CC[NH2+]C1)C1C[NH2+]C1 ZINC000923638535 645775279 /nfs/dbraw/zinc/77/52/79/645775279.db2.gz OBMBBNIUZIEPBI-SSDOTTSWSA-N 2 0 219.310 -1.513 20 0 BAADRP O=S(=O)(NC[C@H]1CC[NH2+]C1)C1C[NH2+]C1 ZINC000923638536 645775381 /nfs/dbraw/zinc/77/53/81/645775381.db2.gz OBMBBNIUZIEPBI-ZETCQYMHSA-N 2 0 219.310 -1.513 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923639058 645775180 /nfs/dbraw/zinc/77/51/80/645775180.db2.gz WKCGMQLJEUFIQC-APPZFPTMSA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923639059 645775240 /nfs/dbraw/zinc/77/52/40/645775240.db2.gz WKCGMQLJEUFIQC-CBAPKCEASA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923639061 645775234 /nfs/dbraw/zinc/77/52/34/645775234.db2.gz WKCGMQLJEUFIQC-IONNQARKSA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923639062 645775329 /nfs/dbraw/zinc/77/53/29/645775329.db2.gz WKCGMQLJEUFIQC-VXNVDRBHSA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@H]1[NH2+]CCN(S(=O)(=O)C2C[NH2+]C2)[C@@H]1C ZINC000923639330 645775984 /nfs/dbraw/zinc/77/59/84/645775984.db2.gz KWYOIRBPHRVRLQ-HTQZYQBOSA-N 2 0 233.337 -1.030 20 0 BAADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923639331 645776114 /nfs/dbraw/zinc/77/61/14/645776114.db2.gz KWYOIRBPHRVRLQ-JGVFFNPUSA-N 2 0 233.337 -1.030 20 0 BAADRP C[C@H]1[NH2+]CCN(S(=O)(=O)C2C[NH2+]C2)[C@H]1C ZINC000923639332 645776039 /nfs/dbraw/zinc/77/60/39/645776039.db2.gz KWYOIRBPHRVRLQ-SFYZADRCSA-N 2 0 233.337 -1.030 20 0 BAADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)C2C[NH2+]C2)[C@H]1C ZINC000923639333 645775936 /nfs/dbraw/zinc/77/59/36/645775936.db2.gz KWYOIRBPHRVRLQ-YUMQZZPRSA-N 2 0 233.337 -1.030 20 0 BAADRP C[NH2+][C@@H](C)CNS(=O)(=O)C1C[NH2+]C1 ZINC000923639336 645776075 /nfs/dbraw/zinc/77/60/75/645776075.db2.gz LDBGVOFWPYYPFS-LURJTMIESA-N 2 0 207.299 -1.515 20 0 BAADRP C[NH2+][C@H](C)CNS(=O)(=O)C1C[NH2+]C1 ZINC000923639337 645776008 /nfs/dbraw/zinc/77/60/08/645776008.db2.gz LDBGVOFWPYYPFS-ZCFIWIBFSA-N 2 0 207.299 -1.515 20 0 BAADRP C[C@]1(C[NH3+])CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923639552 645775953 /nfs/dbraw/zinc/77/59/53/645775953.db2.gz QAHAPAABIILCCX-SECBINFHSA-N 2 0 233.337 -1.041 20 0 BAADRP C[C@@]1(C[NH3+])CCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923639553 645776142 /nfs/dbraw/zinc/77/61/42/645776142.db2.gz QAHAPAABIILCCX-VIFPVBQESA-N 2 0 233.337 -1.041 20 0 BAADRP CN(C1C[NH2+]C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923639910 645778769 /nfs/dbraw/zinc/77/87/69/645778769.db2.gz GEVVSFLJGPJROV-UHFFFAOYSA-N 2 0 234.325 -1.960 20 0 BAADRP CN(C1C[NH2+]C1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640229 645778379 /nfs/dbraw/zinc/77/83/79/645778379.db2.gz JAZLRGRWJOLNDM-SECBINFHSA-N 2 0 233.337 -1.028 20 0 BAADRP CN(C1C[NH2+]C1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923640230 645778442 /nfs/dbraw/zinc/77/84/42/645778442.db2.gz JAZLRGRWJOLNDM-VIFPVBQESA-N 2 0 233.337 -1.028 20 0 BAADRP CC[C@H]([NH3+])CNS(=O)(=O)C1C[NH2+]C1 ZINC000923640342 645779649 /nfs/dbraw/zinc/77/96/49/645779649.db2.gz CXPCXKVCPMMAAW-LURJTMIESA-N 2 0 207.299 -1.385 20 0 BAADRP CC[C@@H]([NH3+])CNS(=O)(=O)C1C[NH2+]C1 ZINC000923640343 645779960 /nfs/dbraw/zinc/77/99/60/645779960.db2.gz CXPCXKVCPMMAAW-ZCFIWIBFSA-N 2 0 207.299 -1.385 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923640515 645779715 /nfs/dbraw/zinc/77/97/15/645779715.db2.gz FHYTYZYVNDHIBZ-WCBMZHEXSA-N 2 0 245.348 -1.028 20 0 BAADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640600 645779833 /nfs/dbraw/zinc/77/98/33/645779833.db2.gz ZZMQVTJPKLFZQP-APPZFPTMSA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640603 645779973 /nfs/dbraw/zinc/77/99/73/645779973.db2.gz ZZMQVTJPKLFZQP-CBAPKCEASA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640604 645779852 /nfs/dbraw/zinc/77/98/52/645779852.db2.gz ZZMQVTJPKLFZQP-IONNQARKSA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640607 645779751 /nfs/dbraw/zinc/77/97/51/645779751.db2.gz ZZMQVTJPKLFZQP-VXNVDRBHSA-N 2 0 233.337 -1.124 20 0 BAADRP C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923640651 645779781 /nfs/dbraw/zinc/77/97/81/645779781.db2.gz MAHLGEWXZQESLA-HTRCEHHLSA-N 2 0 219.310 -1.291 20 0 BAADRP C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923640652 645779922 /nfs/dbraw/zinc/77/99/22/645779922.db2.gz MAHLGEWXZQESLA-POYBYMJQSA-N 2 0 219.310 -1.291 20 0 BAADRP C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923640653 645779739 /nfs/dbraw/zinc/77/97/39/645779739.db2.gz MAHLGEWXZQESLA-SVRRBLITSA-N 2 0 219.310 -1.291 20 0 BAADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923640654 645779670 /nfs/dbraw/zinc/77/96/70/645779670.db2.gz MAHLGEWXZQESLA-XPUUQOCRSA-N 2 0 219.310 -1.291 20 0 BAADRP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)[C@H](C)[NH3+] ZINC000923641092 645780541 /nfs/dbraw/zinc/78/05/41/645780541.db2.gz JHYMLMSXDJLWEV-NTSWFWBYSA-N 2 0 207.299 -1.387 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923641098 645780556 /nfs/dbraw/zinc/78/05/56/645780556.db2.gz JHYMLMSXDJLWEV-PHDIDXHHSA-N 2 0 207.299 -1.387 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923641099 645780605 /nfs/dbraw/zinc/78/06/05/645780605.db2.gz JHYMLMSXDJLWEV-RITPCOANSA-N 2 0 207.299 -1.387 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923641102 645780354 /nfs/dbraw/zinc/78/03/54/645780354.db2.gz JHYMLMSXDJLWEV-WDSKDSINSA-N 2 0 207.299 -1.387 20 0 BAADRP CN(C1CC([NH3+])C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923641282 645780506 /nfs/dbraw/zinc/78/05/06/645780506.db2.gz JUXOIMJUVLPGKE-UHFFFAOYSA-N 2 0 248.352 -1.442 20 0 BAADRP CC[C@@H]([NH3+])CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923641682 645779624 /nfs/dbraw/zinc/77/96/24/645779624.db2.gz MPWHIVTYEWXYLI-MRVPVSSYSA-N 2 0 236.341 -1.537 20 0 BAADRP CC[C@H]([NH3+])CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923641684 645779867 /nfs/dbraw/zinc/77/98/67/645779867.db2.gz MPWHIVTYEWXYLI-QMMMGPOBSA-N 2 0 236.341 -1.537 20 0 BAADRP C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923641736 645779937 /nfs/dbraw/zinc/77/99/37/645779937.db2.gz XRDGTUQZNLNYQI-BDAKNGLRSA-N 2 0 248.352 -1.442 20 0 BAADRP C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923641738 645779764 /nfs/dbraw/zinc/77/97/64/645779764.db2.gz XRDGTUQZNLNYQI-DTWKUNHWSA-N 2 0 248.352 -1.442 20 0 BAADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923641740 645779701 /nfs/dbraw/zinc/77/97/01/645779701.db2.gz XRDGTUQZNLNYQI-IUCAKERBSA-N 2 0 248.352 -1.442 20 0 BAADRP C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923641742 645780491 /nfs/dbraw/zinc/78/04/91/645780491.db2.gz XRDGTUQZNLNYQI-RKDXNWHRSA-N 2 0 248.352 -1.442 20 0 BAADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923642060 645780582 /nfs/dbraw/zinc/78/05/82/645780582.db2.gz ZLIQKUCABGJPRS-SECBINFHSA-N 2 0 233.337 -1.043 20 0 BAADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923642061 645780460 /nfs/dbraw/zinc/78/04/60/645780460.db2.gz ZLIQKUCABGJPRS-VIFPVBQESA-N 2 0 233.337 -1.043 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923642230 645781127 /nfs/dbraw/zinc/78/11/27/645781127.db2.gz SFJQKTWEMROHII-APPZFPTMSA-N 2 0 231.321 -1.418 20 0 BAADRP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923642836 645782429 /nfs/dbraw/zinc/78/24/29/645782429.db2.gz XLDJJVFTYVPHJC-HTQZYQBOSA-N 2 0 236.341 -1.538 20 0 BAADRP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000923642837 645781921 /nfs/dbraw/zinc/78/19/21/645781921.db2.gz XLDJJVFTYVPHJC-JGVFFNPUSA-N 2 0 236.341 -1.538 20 0 BAADRP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923642838 645782108 /nfs/dbraw/zinc/78/21/08/645782108.db2.gz XLDJJVFTYVPHJC-SFYZADRCSA-N 2 0 236.341 -1.538 20 0 BAADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923642839 645781845 /nfs/dbraw/zinc/78/18/45/645781845.db2.gz XLDJJVFTYVPHJC-YUMQZZPRSA-N 2 0 236.341 -1.538 20 0 BAADRP O=S(=O)(NC[C@H]1C[NH2+]CCCO1)C1C[NH2+]C1 ZINC000923643420 645782181 /nfs/dbraw/zinc/78/21/81/645782181.db2.gz BNKSCXKOWGIASE-MRVPVSSYSA-N 2 0 249.336 -1.744 20 0 BAADRP O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)C1C[NH2+]C1 ZINC000923643421 645781695 /nfs/dbraw/zinc/78/16/95/645781695.db2.gz BNKSCXKOWGIASE-QMMMGPOBSA-N 2 0 249.336 -1.744 20 0 BAADRP O=S(=O)(NC[C@H]1C[NH2+]CCO1)C1C[NH2+]C1 ZINC000923645119 645782923 /nfs/dbraw/zinc/78/29/23/645782923.db2.gz FDNVDJOVOJQRQL-SSDOTTSWSA-N 2 0 235.309 -2.134 20 0 BAADRP O=S(=O)(NC[C@@H]1C[NH2+]CCO1)C1C[NH2+]C1 ZINC000923645122 645782974 /nfs/dbraw/zinc/78/29/74/645782974.db2.gz FDNVDJOVOJQRQL-ZETCQYMHSA-N 2 0 235.309 -2.134 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923645439 645783007 /nfs/dbraw/zinc/78/30/07/645783007.db2.gz NUKVQHAVFBUTDJ-PSASIEDQSA-N 2 0 245.348 -1.028 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923645441 645783159 /nfs/dbraw/zinc/78/31/59/645783159.db2.gz NUKVQHAVFBUTDJ-SCZZXKLOSA-N 2 0 245.348 -1.028 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923645444 645783000 /nfs/dbraw/zinc/78/30/00/645783000.db2.gz NUKVQHAVFBUTDJ-WCBMZHEXSA-N 2 0 245.348 -1.028 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923645446 645783060 /nfs/dbraw/zinc/78/30/60/645783060.db2.gz NUKVQHAVFBUTDJ-WPRPVWTQSA-N 2 0 245.348 -1.028 20 0 BAADRP O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)C1C[NH2+]C1 ZINC000923645984 645783815 /nfs/dbraw/zinc/78/38/15/645783815.db2.gz QQNDWVDHQCSCFD-BQBZGAKWSA-N 2 0 237.300 -1.422 20 0 BAADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCCO1 ZINC000923647586 645784414 /nfs/dbraw/zinc/78/44/14/645784414.db2.gz NDTLPWNOUYZPDP-MRVPVSSYSA-N 2 0 249.336 -1.662 20 0 BAADRP [NH3+]C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCCO1 ZINC000923647588 645784611 /nfs/dbraw/zinc/78/46/11/645784611.db2.gz NDTLPWNOUYZPDP-QMMMGPOBSA-N 2 0 249.336 -1.662 20 0 BAADRP CN(CC[NH3+])S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923648508 645784835 /nfs/dbraw/zinc/78/48/35/645784835.db2.gz TVLQYKNBJSIRTM-MRVPVSSYSA-N 2 0 221.326 -1.041 20 0 BAADRP CN(CC[NH3+])S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923648509 645784630 /nfs/dbraw/zinc/78/46/30/645784630.db2.gz TVLQYKNBJSIRTM-QMMMGPOBSA-N 2 0 221.326 -1.041 20 0 BAADRP [NH3+]CC12CC(C1)CN2S(=O)(=O)C1C[NH2+]C1 ZINC000923655512 645790061 /nfs/dbraw/zinc/79/00/61/645790061.db2.gz RYKMOQVLMJACLB-UHFFFAOYSA-N 2 0 231.321 -1.289 20 0 BAADRP CN(CC(C)(C)[NH3+])S(=O)(=O)C1C[NH2+]C1 ZINC000923656240 645791030 /nfs/dbraw/zinc/79/10/30/645791030.db2.gz UTDRKGLJWFMRBH-UHFFFAOYSA-N 2 0 221.326 -1.043 20 0 BAADRP O=S(=O)(NCC12CC(C1)C[NH2+]2)C1C[NH2+]C1 ZINC000923657765 645795593 /nfs/dbraw/zinc/79/55/93/645795593.db2.gz GBRVANVDFYKQIT-UHFFFAOYSA-N 2 0 231.321 -1.370 20 0 BAADRP C[NH2+]C[C@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923657909 645795625 /nfs/dbraw/zinc/79/56/25/645795625.db2.gz BDGXZGIHUKMWGX-LURJTMIESA-N 2 0 207.299 -1.515 20 0 BAADRP C[NH2+]C[C@@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923657910 645795661 /nfs/dbraw/zinc/79/56/61/645795661.db2.gz BDGXZGIHUKMWGX-ZCFIWIBFSA-N 2 0 207.299 -1.515 20 0 BAADRP C[NH2+]C[C@@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923658494 645797205 /nfs/dbraw/zinc/79/72/05/645797205.db2.gz GOUPKRAZQBWJRN-MRVPVSSYSA-N 2 0 236.341 -1.666 20 0 BAADRP C[NH2+]C[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923658495 645796369 /nfs/dbraw/zinc/79/63/69/645796369.db2.gz GOUPKRAZQBWJRN-QMMMGPOBSA-N 2 0 236.341 -1.666 20 0 BAADRP CCN(CC[NH3+])S(=O)(=O)N1CC[NH2+]CC1 ZINC000923659175 712631157 /nfs/dbraw/zinc/63/11/57/712631157.db2.gz GPWKHUKOGPDSNX-UHFFFAOYSA-N 2 0 236.341 -1.583 20 0 BAADRP [NH3+][C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@H]1F ZINC000923659325 645796761 /nfs/dbraw/zinc/79/67/61/645796761.db2.gz MKRVCRLXNJXJRX-HTQZYQBOSA-N 2 0 237.300 -1.341 20 0 BAADRP CCN(CC[NH3+])S(=O)(=O)C1C[NH2+]C1 ZINC000923659810 645799663 /nfs/dbraw/zinc/79/96/63/645799663.db2.gz OLLWETZXPIESJH-UHFFFAOYSA-N 2 0 207.299 -1.431 20 0 BAADRP C[C@@]1(NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]C1 ZINC000923660165 645799129 /nfs/dbraw/zinc/79/91/29/645799129.db2.gz UEDXTYCCHOKBCC-MRVPVSSYSA-N 2 0 219.310 -1.370 20 0 BAADRP C[C@]1(NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]C1 ZINC000923660166 645798779 /nfs/dbraw/zinc/79/87/79/645798779.db2.gz UEDXTYCCHOKBCC-QMMMGPOBSA-N 2 0 219.310 -1.370 20 0 BAADRP C[C@@]1(NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000923660195 645798900 /nfs/dbraw/zinc/79/89/00/645798900.db2.gz VBEVQRAQOOXSEB-SECBINFHSA-N 2 0 248.352 -1.522 20 0 BAADRP C[C@]1(NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000923660196 645798692 /nfs/dbraw/zinc/79/86/92/645798692.db2.gz VBEVQRAQOOXSEB-VIFPVBQESA-N 2 0 248.352 -1.522 20 0 BAADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923662207 645807880 /nfs/dbraw/zinc/80/78/80/645807880.db2.gz BKWUWOYQJZZBLA-MRVPVSSYSA-N 2 0 236.341 -1.585 20 0 BAADRP C[C@H]([NH3+])CN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923662208 645807672 /nfs/dbraw/zinc/80/76/72/645807672.db2.gz BKWUWOYQJZZBLA-QMMMGPOBSA-N 2 0 236.341 -1.585 20 0 BAADRP CN(CCOCC[NH3+])S(=O)(=O)C1C[NH2+]C1 ZINC000923662756 645808293 /nfs/dbraw/zinc/80/82/93/645808293.db2.gz NYALZIGCVRLIKR-UHFFFAOYSA-N 2 0 237.325 -1.805 20 0 BAADRP C[NH2+]CCOCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923663178 645808772 /nfs/dbraw/zinc/80/87/72/645808772.db2.gz VIAMGSISNYMJFQ-UHFFFAOYSA-N 2 0 237.325 -1.886 20 0 BAADRP [NH3+]CCCOCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923663327 645808826 /nfs/dbraw/zinc/80/88/26/645808826.db2.gz QHTUXIDNQNONQE-UHFFFAOYSA-N 2 0 237.325 -1.757 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923664387 645810209 /nfs/dbraw/zinc/81/02/09/645810209.db2.gz QBNJVKKPPYNQSM-POYBYMJQSA-N 2 0 219.310 -1.372 20 0 BAADRP C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923665515 645810318 /nfs/dbraw/zinc/81/03/18/645810318.db2.gz BBPMUXVZCKHPCG-BQBZGAKWSA-N 2 0 219.310 -1.291 20 0 BAADRP C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923665516 645810045 /nfs/dbraw/zinc/81/00/45/645810045.db2.gz BBPMUXVZCKHPCG-NKWVEPMBSA-N 2 0 219.310 -1.291 20 0 BAADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923665517 645809360 /nfs/dbraw/zinc/80/93/60/645809360.db2.gz BBPMUXVZCKHPCG-RNFRBKRXSA-N 2 0 219.310 -1.291 20 0 BAADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923665518 645810118 /nfs/dbraw/zinc/81/01/18/645810118.db2.gz BBPMUXVZCKHPCG-RQJHMYQMSA-N 2 0 219.310 -1.291 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000923665702 645810284 /nfs/dbraw/zinc/81/02/84/645810284.db2.gz JMFKETJIDWLYAR-BQBZGAKWSA-N 2 0 217.294 -1.666 20 0 BAADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923665782 645810323 /nfs/dbraw/zinc/81/03/23/645810323.db2.gz XUWCBNPLCGOAQQ-DTWKUNHWSA-N 2 0 248.352 -1.524 20 0 BAADRP C[C@H]([NH3+])CN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923666004 645810310 /nfs/dbraw/zinc/81/03/10/645810310.db2.gz ZWHRPGIWKAHEAI-LURJTMIESA-N 2 0 207.299 -1.433 20 0 BAADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923666009 645810142 /nfs/dbraw/zinc/81/01/42/645810142.db2.gz ZWHRPGIWKAHEAI-ZCFIWIBFSA-N 2 0 207.299 -1.433 20 0 BAADRP [NH3+][C@H]1C[C@@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923667133 645810719 /nfs/dbraw/zinc/81/07/19/645810719.db2.gz QQZJTRJXGNLOKO-KNVOCYPGSA-N 2 0 219.310 -1.385 20 0 BAADRP [NH3+][C@H]1C[C@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923667135 645810912 /nfs/dbraw/zinc/81/09/12/645810912.db2.gz QQZJTRJXGNLOKO-LJGSYFOKSA-N 2 0 219.310 -1.385 20 0 BAADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923667521 645810539 /nfs/dbraw/zinc/81/05/39/645810539.db2.gz NGUQOLDFWRVRJN-BDAKNGLRSA-N 2 0 248.352 -1.442 20 0 BAADRP C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923667524 645810874 /nfs/dbraw/zinc/81/08/74/645810874.db2.gz NGUQOLDFWRVRJN-DTWKUNHWSA-N 2 0 248.352 -1.442 20 0 BAADRP C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923667526 645810648 /nfs/dbraw/zinc/81/06/48/645810648.db2.gz NGUQOLDFWRVRJN-IUCAKERBSA-N 2 0 248.352 -1.442 20 0 BAADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923667528 645810691 /nfs/dbraw/zinc/81/06/91/645810691.db2.gz NGUQOLDFWRVRJN-RKDXNWHRSA-N 2 0 248.352 -1.442 20 0 BAADRP [NH3+]C1CC(CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923671507 645813611 /nfs/dbraw/zinc/81/36/11/645813611.db2.gz QQZJTRJXGNLOKO-UHFFFAOYSA-N 2 0 219.310 -1.385 20 0 BAADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923672455 645815457 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CC1(C)CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1[NH3+] ZINC000923678156 645822426 /nfs/dbraw/zinc/82/24/26/645822426.db2.gz SPUCCIOYPYFWHB-MRVPVSSYSA-N 2 0 233.337 -1.043 20 0 BAADRP CC1(C)CN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1[NH3+] ZINC000923678158 645822465 /nfs/dbraw/zinc/82/24/65/645822465.db2.gz SPUCCIOYPYFWHB-QMMMGPOBSA-N 2 0 233.337 -1.043 20 0 BAADRP [NH3+][C@]1(CO)CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923695089 712707542 /nfs/dbraw/zinc/70/75/42/712707542.db2.gz JOSOYWWGTZMAGS-SECBINFHSA-N 2 0 249.336 -1.926 20 0 BAADRP [NH3+][C@@]1(CO)CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923695098 712707547 /nfs/dbraw/zinc/70/75/47/712707547.db2.gz JOSOYWWGTZMAGS-VIFPVBQESA-N 2 0 249.336 -1.926 20 0 BAADRP O=S(=O)(C1C[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715540 645950407 /nfs/dbraw/zinc/95/04/07/645950407.db2.gz VTBVXUILHOBTAR-DTWKUNHWSA-N 2 0 245.348 -1.171 20 0 BAADRP CN1CC[N@H+](C)C[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925574007 634071641 /nfs/dbraw/zinc/07/16/41/634071641.db2.gz 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